Molecule FYI-1005565

A

Molecule Summary:

ID: FYI-1005565
Names:
InChIKey: FLZKCTRTYLUUQC-UHFFFAOYSA-N
SMILES: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2Nc3ccccc3

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005565 Edit

Molecule Structure InChIKey: FLZKCTRTYLUUQC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCC(=O)c2cc1c(C)cc(=O)oc1cc2Nc3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005565
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 10  1  0  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005565-3D
FYIcenter.com

 49 51  0  0  0  0  0  0  0  0999 V2000
    4.6014   -1.6646    4.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4683   -1.4465    2.8844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6487   -2.0541    2.1286 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5212   -1.8381    0.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7054   -2.4549   -0.1234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103   -2.2624   -1.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9782   -1.3372   -2.1423 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3365   -3.2257   -2.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2494   -4.7461   -2.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4848   -5.4049   -2.3506 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2173   -7.2969   -5.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4435   -5.8965   -4.9466 O   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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  2 30  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 32  1  0  0  0  0
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  4  5  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
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  5 37  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
  9 10  2  0  0  0  0
  9 38  1  0  0  0  0
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 14 16  1  0  0  0  0
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 17 18  2  0  0  0  0
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 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
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 24 47  1  0  0  0  0
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 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
M  END
$$$$

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2023-11-09, 874👍, 0💬