Molecule FYI-1013609

A

Molecule Summary:

ID: FYI-1013609
Names:
InChIKey: RUVQZAFWSJRRDD-VAWYXSNFSA-N
SMILES: COc4cc(OC)c(/C=C/C(=O)c2cc(C(=O)c1ccc(C(F)(F)F)cc1)nn2c3cccc(C(N)=O)c3)c(OC)c4

Received at FYIcenter.com on: 2025-01-16

Molecule ID: FYI-1013609 Edit

Molecule Structure InChIKey: RUVQZAFWSJRRDD-VAWYXSNFSA-N

Molecule Structure SMILES String: COc4cc(OC)c(/C=C/C(=O)c2cc(C(=O)c1ccc(C(F)(F)F)cc1)nn2c3cccc(C(N)=O)c3)c(OC)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013609
FYIcenter.com

 42 45  0  0  0  0  0  0  0  0999 V2000
   11.9645    5.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    6.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    8.1546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7659    9.1949    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571   10.5644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3885   10.9970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6796   12.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6393   13.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3077   12.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2674   13.8073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5585   15.1766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9359   13.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    9.3255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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 41 36  1  0  0  0  0
 42 41  2  0  0  0  0
 42 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013609-3D
FYIcenter.com

 66 69  0  0  0  0  0  0  0  0999 V2000
    4.7263   -2.3258    0.7651 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8382   -1.8021    1.4819 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7301   -0.5197    1.9446 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6317    0.3182    1.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3679    4.0617    4.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-02-16, 1081👍, 0💬