Molecule Editor

Molecule ID: FYI-1003157 Edit

Molecule Structure InChIKey: QXAITBQSYVNQDR-ZIOPAAQOSA-N

Molecule Structure SMILES String: Cc2ccc(/N=C/N(C)/C=N/c1ccc(C)cc1C)c(C)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003157
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
  2  1  1  0  0  0  0
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 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  2  0  0  0  0
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 20 17  1  0  0  0  0
 21 15  1  0  0  0  0
 22  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003157-3D
FYIcenter.com

 45 46  0  0  0  0  0  0  0  0999 V2000
    2.5061    1.0700   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2277    0.2859   -0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1533   -0.9619    0.5531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0578   -1.6642    0.5900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2174   -1.1498   -0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4639   -1.8032    0.0576 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5509   -3.0875   -0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7111   -3.8469   -0.0224 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$