Molecule FYI-1004051

A

Molecule Summary:

ID: FYI-1004051
Names:
InChIKey: YVPIYVNLCIXVFD-UHFFFAOYSA-N
SMILES: O=C%30N(CO)C(=O)C1%32c2c3c4c%31c5c6c(c7c8c1c9c2c%10c%11c3c%12c4c%13c5c%14c%15c6c%16c7c%17c8c%18c9c%19c%10c%20c%11c%21c%12c%22c%13c%14c%23c%24c%15c%16c%25c%17c%26c%18c%19c%27c%20c%28c%21c%22c%23c%29c%24c%25c%26c%27c%28%29)C%30%31%32

Received at FYIcenter.com on: 2023-08-08

Molecule ID: FYI-1004051 Edit

Molecule Structure InChIKey: YVPIYVNLCIXVFD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C%30N(CO)C(=O)C1%32c2c3c4c%31c5c6c(c7c8c1c9c2c%10c%11c3c%12c4c%13c5c%14c%15c6c%16c7c%17c8c%18c9c%19c%10c%20c%11c%21c%12c%22c%13c%14c%23c%24c%15c%16c%25c%17c%26c%18c%19c%27c%20c%28c%21c%22c%23c%29c%24c%25c%26c%27c%28%29)C%30%31%32

Download SDF Download SVG Structure in 2D SDF:

FYI-1004051
FYIcenter.com

 67 98  0  0  0  0  0  0  0  0999 V2000
    2.5170    6.3712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3336    5.5084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5278    5.1497    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7639    5.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6200    4.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9644    3.6822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4827    4.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0417    3.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9151    2.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7726    2.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5858    2.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2882    3.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5892    4.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3198    4.5562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2407    5.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3648    5.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8526    6.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7711    7.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7478    7.4969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639    8.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5885    8.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3099    3.8884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4553    3.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6151    2.6532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7119    1.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5854    1.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3757    2.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6093    1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3964    1.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044    2.0936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8486    2.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1894    3.7499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8206    4.6892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0343    4.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6613    5.7824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9496    6.0205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1886    6.5930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8878    6.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4197    5.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662    7.0385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3474    5.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6649    7.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2627    5.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2032    2.6069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909    1.8175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    1.3619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    1.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8173    1.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0924    4.1397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447    3.8668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8360    1.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2997    2.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7133    4.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1677    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5439    4.2216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2899    4.8565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0818    2.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5103    3.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    1.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2970    0.8842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4996    0.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9927    0.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9321    1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9238    4.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  3  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 24  8  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 26  9  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 11  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 31 12  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 13  1  0  0  0  0
 35 34  1  0  0  0  0
 35 16  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38 17  1  0  0  0  0
 39 38  1  0  0  0  0
 39 20  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 42 21  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 45 22  1  0  0  0  0
 46 45  2  0  0  0  0
 46 25  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 48 27  1  0  0  0  0
 49 48  1  0  0  0  0
 49 29  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 52 47  1  0  0  0  0
 52 44  1  0  0  0  0
 53 51  1  0  0  0  0
 54 53  2  0  0  0  0
 54 43  1  0  0  0  0
 55 54  1  0  0  0  0
 55 41  1  0  0  0  0
 56 55  2  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 58 37  1  0  0  0  0
 58 40  1  0  0  0  0
 59 57  1  0  0  0  0
 60 59  2  0  0  0  0
 60 36  1  0  0  0  0
 60 33  1  0  0  0  0
 61 59  1  0  0  0  0
 62 61  2  0  0  0  0
 62 32  1  0  0  0  0
 63 62  1  0  0  0  0
 63 30  1  0  0  0  0
 64 63  2  0  0  0  0
 64 50  1  0  0  0  0
 65 64  1  0  0  0  0
 65 53  1  0  0  0  0
 66 65  2  0  0  0  0
 66 61  1  0  0  0  0
 66 56  1  0  0  0  0
 67 18  1  0  0  0  0
 67  2  1  0  0  0  0
 67 15  1  0  0  0  0
 67  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004051-3D
FYIcenter.com

 70101  0  0  1  0  0  0  0  0999 V2000
    2.2804    3.2105   -2.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1352    2.8423   -3.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7292    1.4888   -2.9738 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929    0.2443   -1.8453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2996   -0.7075   -2.1414 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7149    1.2235   -3.9763 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5619    0.3405   -3.8444 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489    2.2264   -5.4249 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7583    1.9827   -7.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7670    3.9712   -8.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7021    5.2936   -6.9420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8441    5.2325   -5.7405 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6624    5.9652   -6.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5390    5.2473   -5.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8328    4.0213   -5.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9110    2.9604   -5.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5231    1.4751   -5.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1904    1.0851   -5.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8644    0.8480   -6.5090 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6281    1.2322   -6.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7823    2.4917   -7.0163 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1775    3.7065   -8.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2565    4.7770   -8.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9577    5.9597   -8.7361 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9685    6.3588   -7.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8356    6.9513   -8.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    6.7481   -7.5195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7289    6.7248   -8.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5898    6.0038   -8.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733    5.3264   -6.8163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3497    4.2880   -7.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1414    3.1216   -6.1602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2138    1.9587   -6.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8430    1.2164   -6.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8103    1.4405   -7.2158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9276    1.9267   -6.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6388    3.1595   -6.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7412    3.1712   -6.9714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1075    2.7101   -8.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9358    3.5227   -9.4332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1962    4.5568  -10.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7918    5.8050  -10.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5768    6.2683  -10.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063    6.9109   -9.6619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2629    6.7618   -9.7421 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7621    5.9690  -10.7779 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6055    5.2897  -10.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0226    5.3397   -9.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6253    4.2894   -8.4362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6176    3.1106   -9.1865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3314    2.0265   -8.3939 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7782    1.6079   -9.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7378    2.1198   -8.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8693    2.8344   -8.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4344    2.3457   -9.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8118    2.4791  -10.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4766    3.0650  -11.2657 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0819    4.2957  -11.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1434    5.3692  -11.4836 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6759    5.2757  -11.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1008    4.0656  -11.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850    4.1321  -11.1884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170    3.0439  -10.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0774    1.9408  -10.3261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853    2.0718  -10.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0227    2.9523  -11.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5267    3.7163   -4.7363 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1449    0.6187   -0.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2536   -0.4437   -1.7705 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2677   -1.3877   -1.4138 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 67  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 68  1  0  0  0  0
  4 69  1  0  0  0  0
  5 70  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 67  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  2  0  0  0  0
 10 11  1  0  0  0  0
 10 23  2  0  0  0  0
 11 12  1  0  0  0  0
 11 25  2  0  0  0  0
 12 13  2  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  2  0  0  0  0
 15 16  2  0  0  0  0
 15 67  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  2  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  2  0  0  0  0
 22 23  1  0  0  0  0
 22 40  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  2  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  1  0  0  0  0
 29 48  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 49  2  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 33 51  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 53  2  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 37 54  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 56  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  1  0  0  0  0
 41 58  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 59  2  0  0  0  0
 44 45  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 60  1  0  0  0  0
 47 48  1  0  0  0  0
 47 62  2  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 63  2  0  0  0  0
 51 52  2  0  0  0  0
 52 53  1  0  0  0  0
 52 64  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
 55 56  1  0  0  0  0
 55 65  1  0  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57 66  2  0  0  0  0
 58 59  1  0  0  0  0
 59 60  1  0  0  0  0
 60 61  2  0  0  0  0
 61 62  1  0  0  0  0
 61 66  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 64 65  2  0  0  0  0
 65 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-05, 2563👍, 0💬