Molecule Editor

Molecule ID: FYI-1005652 Edit

Molecule Structure InChIKey: XSRLKEIMSCXPDZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1ccc(F)cc1)C6C3c2cccc(Br)c2C=CN3C(C(=O)c4ccc(F)cc4)C7c5cccc(Br)c5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005652
FYIcenter.com

 42 48  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
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 41 39  1  0  0  0  0
 42 41  2  0  0  0  0
 42 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005652-3D
FYIcenter.com

 64 70  0  0  1  0  0  0  0  0999 V2000
    3.4122   -1.6744   -1.8439 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7233    1.0791   -3.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$