Molecule FYI-1005704

A

Molecule Summary:

ID: FYI-1005704
Names:
InChIKey: WXSQJJACNBPICZ-UHFFFAOYSA-N
SMILES: CC#CCN2CC4CC1C(=CC(C(=O)N(CC)CC)CN1C)c3cccc2c34

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

Molecule ID: FYI-1005704 Edit

Molecule Structure InChIKey: WXSQJJACNBPICZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC#CCN2CC4CC1C(=CC(C(=O)N(CC)CC)CN1C)c3cccc2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005704
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6298    9.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    9.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4199    7.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    6.9138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    6.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8397    7.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    6.9138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0496    5.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2596    3.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3400    1.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7296    1.2099    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2596    7.6124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2099    9.7080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0094    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  3  0  0  0  0
 25 24  1  0  0  0  0
 26  8  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-1005704-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    1.4202   -0.1409    1.5279 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7786   -0.0678    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9901   -0.0049    0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4025    0.0684   -0.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5907   -0.3100    0.4766 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2875    0.6493    1.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6766   -0.3562    2.3453 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5924    0.0644    3.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9058    0.4813    2.7623 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.5372   -0.7001    1.9903 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8622   -0.6983    1.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7300    0.3476    2.4481 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.9184   -0.4021    3.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7348   -1.3644    3.7856 O   0  0  0  0  0  0  0  0  0  0  0  0
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   15.5828    1.0195    1.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1159    1.1999    3.5747 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6699    1.1444    3.8131 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2724   -0.5128   -0.9714 H   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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  7 36  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
$$$$

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2023-11-18, 1984👍, 0💬