Molecule Editor

Molecule ID: FYI-1015428 Edit

Molecule Structure InChIKey: KJQXAEPEUZRFRP-BJMVGYQFSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccc(Cl)cc1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015428
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   10.0571    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.8477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.1477    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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    8.6333    0.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    0.5643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    1.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0951    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    3.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0569    3.3484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8797    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3103    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3508    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5632    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.2721    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2088    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9180    0.7904    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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  3  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  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  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  2  0  0  0  0
 27 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015428-3D
FYIcenter.com

 43 46  0  0  0  0  0  0  0  0999 V2000
    0.5923    0.0535    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0407    0.1488    0.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603   -0.7931    0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9729   -2.2427    0.1096 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9234   -2.8559   -0.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3027   -2.9068    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4753   -4.2220   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8423   -4.7525   -0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3619   -5.2017    1.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028   -5.5844    1.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5249   -5.5190    0.1788 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1838   -5.9573    0.3072 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0148   -5.0860   -1.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6739   -4.7017   -1.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599   -0.1386    0.4812 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0329    1.1600    0.5696 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6970    1.3478    0.6189 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1443    2.6362    0.8072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7654    3.7506    0.2283 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369    5.0049    0.2429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8807    5.0943    0.8643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2881    4.0088    1.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9412    4.4950    1.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1351    7.4856    0.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9432    2.7707    1.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3110   -0.9389   -0.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3380    0.7618   -0.7533 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6597   -4.9156   -0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7348   -5.2316    2.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2924   -4.3405   -2.0936 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7117    3.6463   -0.3025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5932    5.8584   -0.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5104    1.9490    2.0749 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  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
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 13 14  1  0  0  0  0
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 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 25  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  2  0  0  0  0
 23 39  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 40  1  0  0  0  0
 26 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$