Molecule Editor

Molecule ID: FYI-1004952 Edit

Molecule Structure InChIKey: OBJNFLYHUXWUPF-IZZDOVSWSA-N

Molecule Structure SMILES String: CN(C)C/C=C/C(=O)Nc5ccc(C(=O)Nc4cccc(Nc3ncc(Cl)c(c1c[nH]c2ccccc12)n3)c4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004952
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
   12.1244   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   16.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    5.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    6.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Cl  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  2  1  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
  9  7  1  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 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  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
 31 26  1  0  0  0  0
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 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
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 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 40 32  1  0  0  0  0
 41 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004952-3D
FYIcenter.com

 69 73  0     0  0  0  0  0  0999 V2000
   -6.0498    3.9665   -0.3120 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3482    3.1051    2.1845 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7158    0.2083    0.0408 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7184   -1.8326   -0.5379 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9145    0.1449   -0.9437 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0531   -2.9409    0.1453 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4874    0.9454   -0.4177 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1444   -1.3505    0.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901    2.6919   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6653    2.2099    0.6383 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.5485    2.4785    1.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8142    1.5533    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0361    2.7078   -1.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4346    3.8230    0.7133 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.9150    2.2560   -0.3621 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7631   -4.5859    0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1089   -4.9507    0.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7551   -1.4394    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5848   -0.3782    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1473   -2.6793   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.3911    0.2896   -1.7225 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8901    1.1131   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$