Molecule FYI-1013538

A

Molecule Summary:

ID: FYI-1013538
Names:
InChIKey: DTCOJTYORKECTI-UHFFFAOYSA-N
SMILES: O=C(NO)c3ccc(CNc1ccccc1C(=O)Nc2ccccc2)cc3

Received at FYIcenter.com on: 2025-01-03

Molecule ID: FYI-1013538 Edit

Molecule Structure InChIKey: DTCOJTYORKECTI-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NO)c3ccc(CNc1ccccc1C(=O)Nc2ccccc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013538
FYIcenter.com

 27 29  0  0  0  0  0  0  0  0999 V2000
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    3.5000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  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
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 15  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  2  0  0  0  0
 20 11  1  0  0  0  0
 21  2  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013538-3D
FYIcenter.com

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.9106    0.8234    0.3398 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6889    0.2649   -0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9906    0.7739   -1.6713 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2597    1.9274   -2.0432 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3256   -1.0299   -0.0803 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6445   -1.9100    0.7683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333   -3.1228    1.1373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5199   -3.4589    0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713   -4.7528    1.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8129   -5.8144    0.1824 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3737   -7.1040    0.3845 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7204   -7.5611    1.6717 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1211   -8.8823    1.9031 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1711   -9.7887    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8339   -9.3690   -0.4273 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4340   -8.0399   -0.6811 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1283   -7.7195   -2.1213 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1004   -8.6437   -2.9294 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9153   -6.3885   -2.4208 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6632   -5.8168   -3.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6441   -6.5433   -4.8750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4166   -5.9026   -6.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2016   -4.5284   -6.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2064   -3.7951   -4.9535 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4348   -4.4362   -3.7325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1914   -2.5754   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6020   -1.3650   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7480    2.1227   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6567   -1.6515    1.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6854   -3.7942    1.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8283   -4.9791    2.1416 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2601   -4.6200    1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -5.9302    0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6722   -6.9104    2.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3784   -9.2034    2.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4647  -10.8208    1.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8797  -10.0914   -1.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8118   -7.6152   -4.8926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4128   -6.4856   -7.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0307   -4.0342   -7.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0317   -2.7226   -4.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4293   -3.8459   -2.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1892   -2.8174   -0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1665   -0.6788   -1.1738 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  5  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  2  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 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  2  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
$$$$

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