Molecule FYI-1005695

A

Molecule Summary:

ID: FYI-1005695
Names:
InChIKey: GMBJXVVZSYZKIR-DYESRHJHSA-N
SMILES: CCN(CC)C(=O)[C@@H]2C=C1c3cccc4[nH]cc(C[C@H]1N(CC(C)C)C2)c34

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

Molecule ID: FYI-1005695 Edit

Molecule Structure InChIKey: GMBJXVVZSYZKIR-DYESRHJHSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]2C=C1c3cccc4[nH]cc(C[C@H]1N(CC(C)C)C2)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005695
FYIcenter.com

 27 30  0  0  1  0  0  0  0  0999 V2000
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    4.8394    7.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4198    6.2865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    5.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    5.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    4.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4198    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6296    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098    8.3820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26  3  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005695-3D
FYIcenter.com

 58 61  0  0  1  0  0  0  0  0999 V2000
    2.6067   -6.2280    6.8470 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3380   -5.5093    5.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5775   -5.0729    4.5530 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509   -5.7903    4.1856 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5747   -7.2213    3.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 58  1  0  0  0  0
M  END
$$$$

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2023-11-18, 2067👍, 0💬