Molecule FYI-1003967

A

Molecule Summary:

ID: FYI-1003967
Names:
InChIKey: PRBZQYGBPDJGLE-UHFFFAOYSA-N
SMILES: CCOCCOc3ccc(c2nc(=O)c(CCC(=O)NC1CCCCC1)n[nH]2)cc3

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

Molecule ID: FYI-1003967 Edit

Molecule Structure InChIKey: PRBZQYGBPDJGLE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCCOc3ccc(c2nc(=O)c(CCC(=O)NC1CCCCC1)n[nH]2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003967
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   18.1866    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 14  8  2  0  0  0  0
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 21 20  1  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003967-3D
FYIcenter.com

 60 62  0     0  0  0  0  0  0999 V2000
   -5.3624    0.2349   -1.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8928   -2.2296    2.2038 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1570   -0.9817   -0.5526 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    1.1820    0.1960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3747    1.2743    0.1791 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-05, 415👍, 0💬