Molecule Editor

Molecule ID: FYI-1015888 Edit

Molecule Structure InChIKey: JHWZPTAZWZKCEQ-LFIBNONCSA-N

Molecule Structure SMILES String: CCN(CC)CCNC(=O)c3c(C)[nH]c(/C=C/1CNc2ccc(F)cc12)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015888
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
   12.7360   10.8245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5381    9.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9707    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0339    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    4.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2318    8.4526    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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  7  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 15  2  0  0  0  0
 25 14  2  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 27 11  1  0  0  0  0
 28  6  2  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015888-3D
FYIcenter.com

 57 59  0     0  0  0  0  0  0999 V2000
    7.6248    0.9119   -1.9877 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630   -2.3533   -0.4798 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6676    0.6869   -0.0108 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8571   -2.0193    0.3568 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1538    0.7313    2.2686 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1263   -0.0747   -0.8879 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012   -0.0765    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0804   -0.9739   -0.5009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1401   -0.5557   -0.9835 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5537   -1.3263   -0.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4189    0.5159    1.2343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3722    0.5480   -1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$