Molecule FYI-1006077

A

Molecule Summary:

ID: FYI-1006077
Names:
InChIKey: IMEXUOSFWFZJGE-QWQFASRJSA-N
SMILES: C[C@H]6CCC=[N+](Cc5cc(C(F)(F)F)c4c[n+](c3cccc([C@@]2(c1nncn1C)C[C@H](C)C2)c3)c(=O)c4c5)C6

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006077 Edit

Molecule Structure InChIKey: IMEXUOSFWFZJGE-QWQFASRJSA-N

Molecule Structure SMILES String: C[C@H]6CCC=[N+](Cc5cc(C(F)(F)F)c4c[n+](c3cccc([C@@]2(c1nncn1C)C[C@H](C)C2)c3)c(=O)c4c5)C6

Download SDF Download SVG Structure in 2D SDF:

FYI-1006077
FYIcenter.com

 39 44  0  0  1  0  0  0  0  0999 V2000
   14.1554    3.7643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1554    5.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3716    5.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3716    7.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1554    7.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9394    7.2748    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   11.7232    7.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5072    7.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2912    7.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0750    7.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8590    7.9769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1568    6.7609    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6428    8.6791    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5610    9.1930    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.9992    3.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9388    2.7515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9394    5.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  6  0  0  0
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 37 15  1  0  0  0  0
 38 37  2  0  0  0  0
 38  8  1  0  0  0  0
 39  6  1  0  0  0  0
 39  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006077-3D
FYIcenter.com

 71 76  0  0  1  0  0  0  0  0999 V2000
   19.5372    4.3963   16.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3587    7.2794   17.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0825    7.4640   16.8220 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2288    6.5024   16.6938 N   0  3  0  0  0  0  0  0  0  0  0  0
   16.0158    6.6826   15.8293 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2222    6.2055   14.3994 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6925    7.1013   13.4010 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8087    6.7309   12.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1429    7.7616   10.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3215    9.0037   11.4950 F   0  0  0  0  0  0  0  0  0  0  0  0
   18.2687    7.4404   10.3039 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.1496    7.8532   10.0642 F   0  0  0  0  0  0  0  0  0  0  0  0
   16.4890    5.4201   11.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5330    4.6890   10.4261 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9244    3.5527   10.5068 N   0  3  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-12-01, 2038👍, 0💬