Molecule FYI-1005698

A

Molecule Summary:

ID: FYI-1005698
Names:
InChIKey: DPOYDXUFNHHSIW-VGOFRKELSA-N
SMILES: CCN(CC)C(=O)[C@@H]3C=C1c4cccc5[nH]cc(C[C@H]1N(C2CCCC2)C3)c45

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

Molecule ID: FYI-1005698 Edit

Molecule Structure InChIKey: DPOYDXUFNHHSIW-VGOFRKELSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]3C=C1c4cccc5[nH]cc(C[C@H]1N(C2CCCC2)C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005698
FYIcenter.com

 28 32  0  0  1  0  0  0  0  0999 V2000
    3.6301    8.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    7.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    7.7388    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4201    6.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    5.6430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6301    5.6430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6301    4.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8400    3.5472    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0500    4.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2601    3.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4701    4.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7988    3.8141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7530    8.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8400    6.3416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1414    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5386    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9704    1.3287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    8.4374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7388    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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  4  3  1  0  0  0  0
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 26 25  1  0  0  0  0
 26 22  1  0  0  0  0
 27  3  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005698-3D
FYIcenter.com

 59 63  0  0  1  0  0  0  0  0999 V2000
    8.7885    8.3916    5.4538 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6929    6.9358    5.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3182    6.0276    4.7949 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3097    5.5555    3.8241 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7630    5.6880    4.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9665    5.9686    4.5163 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1732    6.7234    5.0867 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4044    4.9255    3.5413 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.3588    2.8518    3.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4198    3.2213    4.7939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8277    3.5509    6.1002 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9015    5.0264    6.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4145    4.5193    5.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4283    4.2471    1.3731 N   0  0  3  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1976👍, 0💬