Molecule Editor

Molecule ID: FYI-1015425 Edit

Molecule Structure InChIKey: FMLMFMVZMTZJPM-IZZDOVSWSA-N

Molecule Structure SMILES String: COc4ccc(/C=C/C(=O)c3nnn(c2ccc1c(cnn1C)c2)c3C)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015425
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
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   12.6531    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4406    8.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0157    8.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8033    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5466    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2321    6.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2724    5.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2282    6.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4406    5.8844    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  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  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  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
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 23 22  1  0  0  0  0
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 25 11  2  0  0  0  0
 26 25  1  0  0  0  0
 27  6  1  0  0  0  0
 28 27  2  0  0  0  0
 28  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015425-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    5.4661   -3.7619   -1.8769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4285   -2.9734   -1.1873 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3230   -2.9230    0.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3656   -3.5771    0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3613   -3.4338    2.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3194   -2.6428    2.9906 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2866   -2.4162    4.4462 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8307   -3.3126    5.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1081   -5.7149   12.7305 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5005   -5.3007   13.9369 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0000   -7.3279   14.2191 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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M  END
$$$$