Molecule FYI-1013692

A

Molecule Summary:

ID: FYI-1013692
Names:
InChIKey: OBYYRBGKMRFQDO-FSJBWODESA-N
SMILES: O=N(=O)c4ccc(/C=N/c3ccc(Nc1ccnc2cc(Cl)ccc12)cc3)o4

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013692 Edit

Molecule Structure InChIKey: OBYYRBGKMRFQDO-FSJBWODESA-N

Molecule Structure SMILES String: O=N(=O)c4ccc(/C=N/c3ccc(Nc1ccnc2cc(Cl)ccc12)cc3)o4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013692
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   16.8143    8.9950    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    8.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    8.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    8.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    4.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1770    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    6.8950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    6.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    4.0950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    4.6644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    3.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    2.7027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6019    6.8950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  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
 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
 24 22  2  0  0  0  0
 25 21  1  0  0  0  0
 25 18  1  0  0  0  0
 26 15  1  0  0  0  0
 27 26  2  0  0  0  0
 27 12  1  0  0  0  0
 28  6  2  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013692-3D
FYIcenter.com

 41 44  0  0  0  0  0  0  0  0999 V2000
    4.3158    2.8216    3.3467 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1196    3.3935    2.5973 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1440    3.9909    2.9508 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8193    3.3538    1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7484    2.8256    0.5198 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0196    3.0687   -0.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2449    3.7142   -0.9223 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456    4.1387   -2.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6337    3.9160   -3.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4260    4.2242   -4.3836 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2609    3.4340   -5.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0016    3.6468   -6.7137 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9529    4.6540   -6.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7552    4.9876   -7.9109 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0332    4.5400   -9.2364 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3757    3.4750   -9.8430 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7089    3.1257  -11.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6503    3.7440  -11.8877 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2875    4.7776  -11.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2768    5.3712  -12.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0225    6.4406  -11.6279 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2982    7.0956  -12.5779 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7485    6.9710  -10.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7455    6.3937   -9.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0114    5.2531  -10.0264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0691    5.4854   -5.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3244    5.2819   -4.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7336    3.9044    0.3488 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8947    2.3233    0.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    2.7865   -1.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0107    4.6204   -1.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5295    2.6275   -5.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7955    2.9814   -7.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5146    5.5750   -7.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6288    2.8795   -9.3490 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2220    2.2923  -11.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4798    4.9711  -13.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3122    7.8212  -10.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5550    6.8572   -8.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7555    6.3301   -5.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4579    5.9768   -3.6522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  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
 10 11  1  0  0  0  0
 10 27  2  0  0  0  0
 11 12  2  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 26  2  0  0  0  0
 14 15  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 25  2  0  0  0  0
 16 17  2  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 38  1  0  0  0  0
 24 25  1  0  0  0  0
 24 39  1  0  0  0  0
 26 27  1  0  0  0  0
 26 40  1  0  0  0  0
 27 41  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1250👍, 0💬