Molecule FYI-1015888

A

Molecule Summary:

ID: FYI-1015888
Names:
InChIKey: JHWZPTAZWZKCEQ-LFIBNONCSA-N
SMILES: CCN(CC)CCNC(=O)c3c(C)[nH]c(/C=C/1CNc2ccc(F)cc12)c3C

Received at FYIcenter.com on: 2025-10-28

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
   13.1686    9.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
    8.6334    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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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    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
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  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
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 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
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 28 57  1  0  0  0  0
M  END
$$$$

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2025-11-06, 438👍, 0💬