Molecule Editor

Molecule ID: FYI-1004615 Edit

Molecule Structure InChIKey: XBEPPGIOJNPQHL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NC2C=C(C(=O)N1CCCC1)C(O)CC2)c6cc5c(c4cnc3[nH]ccc3c4)cccc5s6

Download SDF Download SVG Structure in 2D SDF:

FYI-1004615
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
    1.2124    6.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4071    6.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2543    0.0000 O   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
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  6  5  1  0  0  0  0
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 10  9  1  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004615-3D
FYIcenter.com

 61 66  0  0  1  0  0  0  0  0999 V2000
    0.9813    0.0339   -0.3578 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -0.0535   -0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1420    2.0843    1.1614 C   0  0  3  0  0  0  0  0  0  0  0  0
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    2.9399    3.6583    2.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1322    4.7967    4.6260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8237    3.0557    5.3384 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9029    1.9391    5.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7383    5.7229    2.6115 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0166   -1.1603   -0.4979 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$