Molecule FYI-1004471

A

Molecule Summary:

ID: FYI-1004471
Names:
InChIKey: ISJQFLMBPZCVNG-UHFFFAOYSA-N
SMILES: CN(C(=O)c1ccccc1)c3cccc(C(=O)Nc2ccccc2)c3

Received at FYIcenter.com on: 2023-09-07

Molecule ID: FYI-1004471 Edit

Molecule Structure InChIKey: ISJQFLMBPZCVNG-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C(=O)c1ccccc1)c3cccc(C(=O)Nc2ccccc2)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004471
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.7708   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584   13.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459   12.8764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459   11.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584   10.7764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    9.3764    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    8.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    9.3764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5584    5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3459    4.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    5.1764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1335    6.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    4.7438    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    3.4122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6124    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1797    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8104    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7708   11.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8123    5.7339    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  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 18  1  0  0  0  0
 23 22  2  0  0  0  0
 24  5  2  0  0  0  0
 24  1  1  0  0  0  0
 15 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004471-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.2178   -1.3569    0.1532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982    0.0869    0.0226 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0119    0.7264   -1.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6110    0.1174   -2.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0394    2.2238   -1.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3482    2.8325   -2.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4600    4.2234   -2.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2745    5.0108   -1.4073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    4.4168   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7558    3.0337   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283    0.6850    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762    0.7443    2.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5121    1.4379    3.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7264    2.0254    2.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2026    1.9339    1.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5412    2.5058    1.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3862    2.4781    2.2032 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6807    3.0635    0.0581 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8627    3.6238   -0.4740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1274    3.4308    0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2539    4.0442   -0.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1255    4.8541   -1.5926 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8738    5.0309   -2.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7485    4.4083   -1.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4475    1.2706    0.6493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7463   -1.7894   -0.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5862   -1.5661    1.0208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1961   -1.8331    0.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4964    2.2260   -3.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6951    4.6936   -3.4956 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3907    6.0901   -1.4645 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7491    5.0255    0.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4190    2.5995    0.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8150    0.3151    2.6058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1388    1.5290    4.3054 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3091    2.5523    3.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8381    3.2047   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2719    2.7970    0.9571 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2291    3.8897   -0.0130 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0004    5.3442   -2.0116 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7718    5.6611   -3.0569 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7830    4.5693   -2.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8188    1.1629   -0.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  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 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1578👍, 0💬