Molecule FYI-1002123

A

Molecule Summary:

ID: FYI-1002123
Names:
InChIKey: LRHFESYLGCFKIL-UHFFFAOYSA-N
SMILES: O=C(NCc1ccccc1)c5cccc6c(N2CC3CC2CN3C(=O)Nc4ccc(Br)cc4)cccc56

Received at FYIcenter.com on: 2023-02-02

Molecule ID: FYI-1002123 Edit

Molecule Structure InChIKey: LRHFESYLGCFKIL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCc1ccccc1)c5cccc6c(N2CC3CC2CN3C(=O)Nc4ccc(Br)cc4)cccc56

Download SDF Download SVG Structure in 2D SDF:

FYI-1002123
FYIcenter.com

 37 42  0  0  0  0  0  0  0  0999 V2000
   15.4440    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5045    1.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7246    2.0084    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7851    3.3824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0052    4.0169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0656    5.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9060    6.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9665    7.5041    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   15.6860    5.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6255    4.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3449    2.1132    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2614    3.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1898    5.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9551    6.6082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5281    4.5453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9301    3.8307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0652    1.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
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 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
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 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
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 35 14  1  0  0  0  0
 36 35  1  0  0  0  0
 36 12  1  0  0  0  0
 37 35  1  0  0  0  0
 37 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002123-3D
FYIcenter.com

 64 69  0  0  1  0  0  0  0  0999 V2000
    1.5771    0.4545    0.1663 O   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
  3 38  1  0  0  0  0
  4  5  1  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
$$$$

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2023-07-11, 1103👍, 0💬