Molecule Editor

Molecule ID: FYI-1015440 Edit

Molecule Structure InChIKey: GRHPVWOYXLXPST-XYOKQWHBSA-N

Molecule Structure SMILES String: Cc3c(C(=O)/C=C/c2ccc(c1ccccc1F)[nH]2)nnn3c5ccc4c(cnn4C)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015440
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   10.4668    7.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1756    6.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8967    5.5203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    6.2203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    7.6203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.5048    5.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.4666    6.6210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2894    5.4884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7200    4.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7605    3.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9729    3.9726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.6818    5.3420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6185    6.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3277    4.0631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
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 19  8  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  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
 30 26  1  0  0  0  0
 31 30  1  0  0  0  0
 32 27  2  0  0  0  0
 32 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015440-3D
FYIcenter.com

 51 55  0  0  0  0  0  0  0  0999 V2000
    0.5464    0.0420   -0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9969    0.1215    0.2457 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0077   -0.8328    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9220   -2.2938    0.0860 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8769   -2.9269    0.0059 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2692   -2.9314    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5428   -4.2414   -0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9165   -4.6119   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0378   -3.9184   -0.6149 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1576   -4.7545   -0.4469 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9073   -7.1708    0.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.0604   -9.4491    1.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6764   -9.4735    1.2091 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5846   -8.4152    1.0617 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3442   -5.8682    0.1712 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2148   -0.1758    0.3347 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990    1.1248    0.3715 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6688    1.3221    0.4585 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$