Molecule FYI-1012393

A

Molecule Summary:

ID: FYI-1012393
Names:
InChIKey: XNGORKHGLMHECL-GORDUTHDSA-N
SMILES: C/C=C/c3cccc(CCC(=O)NC1=CC(=O)C2CCCN12)c3

Received at FYIcenter.com on: 2024-09-02

Molecule ID: FYI-1012393 Edit

Molecule Structure InChIKey: XNGORKHGLMHECL-GORDUTHDSA-N

Molecule Structure SMILES String: C/C=C/c3cccc(CCC(=O)NC1=CC(=O)C2CCCN12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1012393
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    6.0623    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7661    5.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4661    4.5181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8354    4.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9817    6.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    6.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    9.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6335    7.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23 19  2  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012393-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    3.9707    0.4119    5.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -0.2755    3.9811 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1050    0.3840    2.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6763   -0.2663    1.7670 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6053    0.3883    0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1536   -0.1936   -0.6139 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7913   -1.4308   -0.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8881   -2.0962    0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5666   -3.4391    0.7865 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0516   -3.3387    1.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6708   -4.7252    1.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0747   -5.7134    0.7837 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9357   -4.7496    1.7792 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6980   -5.8737    1.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6021   -6.9731    1.1816 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6188   -7.9188    1.6945 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9219   -8.9604    1.1435 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1839   -7.3789    2.9946 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6846   -7.1822    3.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7541   -5.9244    3.9627 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6635   -5.0423    3.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6261   -6.0030    2.9807 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3362   -1.5015    1.8376 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0412   -4.0518    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1767   -2.8398    2.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
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   15.1801   -8.0372    3.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4201   -2.0163    2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
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  5  6  2  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  2  0  0  0  0
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  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
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 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
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 18 22  1  0  0  0  0
 18 38  1  0  0  0  0
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 19 40  1  0  0  0  0
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 21 22  1  0  0  0  0
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 23 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-28, 902👍, 0💬