Molecule FYI-1013585

A

Molecule Summary:

ID: FYI-1013585
Names:
InChIKey: AJCZGVHMHFLYHK-UHFFFAOYSA-N
SMILES: CCn3c(=O)n(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c(=O)n(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c3=O

Received at FYIcenter.com on: 2025-01-14

Molecule ID: FYI-1013585 Edit

Molecule Structure InChIKey: AJCZGVHMHFLYHK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn3c(=O)n(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c(=O)n(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013585
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
   10.9116    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    9.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869   11.1997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    9.0998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2743    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    6.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    6.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4869    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6992    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    3.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1241    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2359    5.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5896    6.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5488    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0364    4.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3365    2.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3116    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9116    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5116    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0620    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    9.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    9.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8496    7.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2373    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    8.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9123   11.0121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8789   11.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  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
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11  8  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
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 15  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27  5  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
 38 31  1  0  0  0  0
 39 30  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 42 39  1  0  0  0  0
  1 43  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013585-3D
FYIcenter.com

 94 96  0     0  0  0  0  0  0999 V2000
   -4.5366   -2.2337    0.9813 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1351   -3.0159    1.0201 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5116    1.1249   -2.5916 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824    4.3095    0.6444 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9274    3.1267   -0.1993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0256    2.6876   -0.9573 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2267    2.0889   -1.3858 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7265    3.7168    0.2619 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4100   -0.3120    2.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3428   -2.8960    0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6754   -1.9165   -1.8401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0175   -1.1099    0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4700   -0.1155    1.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3076   -1.8794   -0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0780   -0.8870   -0.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5559   -1.0195   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0323   -1.0873    0.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6699   -1.9796    0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9994    1.2572   -0.6628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7172    0.1407   -1.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9534    1.0566    0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8313   -0.8194   -0.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5616    0.2853   -1.4903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0795    0.0406   -0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4450    2.5193   -1.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2056    1.2813   -2.1089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380    0.9068    3.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7928   -0.4931    3.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5843   -1.5830    3.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588   -2.9493    2.0572 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6024   -4.3647    0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149   -2.5667    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1735   -2.1720   -1.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6096   -1.4658   -3.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9908   -3.3222   -1.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7970    0.0733   -0.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6228   -2.4359   -0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4001   -1.0776    1.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1294    1.9032   -1.7122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6611    3.6210    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198    2.9891   -0.4191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1699    4.6492    1.2949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615    3.9239    2.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5173    1.8511    1.3075 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7895   -0.6973   -1.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5655    0.5009   -2.5517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7139    0.8178   -1.4032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5649    2.5212   -2.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0283    3.3696   -0.8858 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    0.8802   -3.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0294    1.9407   -2.4094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6871    0.7403    4.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7015    1.0556    3.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3075    1.8337    3.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6792   -0.5558    4.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4488    0.3569    3.2345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3144   -1.3991    3.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4379   -1.6525    4.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575   -2.5177    2.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5903   -1.5439    2.6559 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5352   -3.5761    2.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2591   -3.3406    2.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1961   -1.9449    2.4686 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7832   -5.0205    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6290   -4.3991   -1.0687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5171   -4.8459    0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4556   -1.5954    0.4303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8176   -3.3062    0.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2345   -2.6007   -1.0369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6388   -2.8032   -2.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3851   -2.6619   -0.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7251   -1.2232   -1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0637   -2.2253   -3.9815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1760   -0.5442   -3.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5784   -1.3424   -3.6839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4182   -3.9808   -2.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9224   -3.2160   -2.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0487   -3.8790   -0.8633 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8703   -0.0136   -0.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7109    0.0753   -1.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4860    1.0464   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7164   -2.4308   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2734   -3.3275    0.0423 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3767   -2.5604   -1.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0106   -1.9385    2.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4877   -1.0723    1.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9964   -0.1763    2.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8338   -2.8895    0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872   -3.6811    1.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0374    5.2020    0.9151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3929    5.3874    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7153    3.3554    2.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3831    3.2203    2.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8819    4.6403    3.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 88  1  0  0  0  0
  2 18  1  0  0  0  0
  2 89  1  0  0  0  0
  3 39  2  0  0  0  0
  4 40  2  0  0  0  0
  5 41  2  0  0  0  0
  6 25  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 26  1  0  0  0  0
  7 39  1  0  0  0  0
  7 41  1  0  0  0  0
  8 40  1  0  0  0  0
  8 41  1  0  0  0  0
  8 42  1  0  0  0  0
  9 13  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 14  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 15  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 16  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 17  2  0  0  0  0
 13 21  1  0  0  0  0
 14 18  2  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  2  0  0  0  0
 16 18  1  0  0  0  0
 16 24  2  0  0  0  0
 19 21  2  0  0  0  0
 19 23  1  0  0  0  0
 19 25  1  0  0  0  0
 20 22  2  0  0  0  0
 20 24  1  0  0  0  0
 20 26  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 29 58  1  0  0  0  0
 29 59  1  0  0  0  0
 29 60  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 31 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 32 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 73  1  0  0  0  0
 34 74  1  0  0  0  0
 34 75  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
 35 78  1  0  0  0  0
 36 79  1  0  0  0  0
 36 80  1  0  0  0  0
 36 81  1  0  0  0  0
 37 82  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 38 85  1  0  0  0  0
 38 86  1  0  0  0  0
 38 87  1  0  0  0  0
 42 43  1  0  0  0  0
 42 90  1  0  0  0  0
 42 91  1  0  0  0  0
 43 92  1  0  0  0  0
 43 93  1  0  0  0  0
 43 94  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 1141👍, 0💬