Molecule FYI-1005756

A

Molecule Summary:

ID: FYI-1005756
Names:
InChIKey: VJZNOZWPSWYZSV-HVXYMJQESA-N
SMILES: CC(NC(=O)[C@@H]2C=C1c4cccc3NCC(C[C@H]1N(C)C2)c34)c5ccccc5

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

Molecule ID: FYI-1005756 Edit

Molecule Structure InChIKey: VJZNOZWPSWYZSV-HVXYMJQESA-N

Molecule Structure SMILES String: CC(NC(=O)[C@@H]2C=C1c4cccc3NCC(C[C@H]1N(C)C2)c34)c5ccccc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005756
FYIcenter.com

 28 32  0  0  1  0  0  0  0  0999 V2000
    8.4700    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    1.3972    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6801    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8901    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1001    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1001    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8901    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6801    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4289    1.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2500    2.7944    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.3831    6.1856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0501    5.5887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8401    3.4930    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6300    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4201    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    4.1916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2101    1.3972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    2.0958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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 14  8  1  0  0  0  0
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 16 15  1  0  0  0  0
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 17  7  1  0  0  0  0
  4 18  1  6  0  0  0
 19 18  2  0  0  0  0
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 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005756-3D
FYIcenter.com

 55 59  0  0  1  0  0  0  0  0999 V2000
    6.3157   -3.1937   -5.6136 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5295   -3.6857   -4.1805 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2577   -3.8831   -3.5063 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5803   -2.8504   -2.8941 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6503   -6.6990   -0.5843 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7923   -6.7125    0.2241 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 27 28  1  0  0  0  0
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 28 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 2176👍, 0💬