Molecule FYI-1003867

A

Molecule Summary:

ID: FYI-1003867
Names:
InChIKey: KWBJOXMIZOPOLR-UHFFFAOYSA-N
SMILES: C(=Cc1ccccc1)=C4CCCC=C(NCN3CC2=C(CCC2)N3)C4

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003867 Edit

Molecule Structure InChIKey: KWBJOXMIZOPOLR-UHFFFAOYSA-N

Molecule Structure SMILES String: C(=Cc1ccccc1)=C4CCCC=C(NCN3CC2=C(CCC2)N3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003867
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
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    9.9595    2.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5201    1.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4527    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8247    0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2642    1.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9056    6.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.7256    8.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1620    5.8545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484    6.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5885    4.4609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 24 17  1  0  0  0  0
 25 14  1  0  0  0  0
 25  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003867-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
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   -0.5053    0.6164   -2.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2812    0.9096   -3.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0375    6.1349    0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
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  6  7  2  0  0  0  0
  6 29  1  0  0  0  0
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  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
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 13 14  2  0  0  0  0
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 17 24  1  0  0  0  0
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 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 487👍, 0💬