Molecule FYI-1006017

A

Molecule Summary:

ID: FYI-1006017
Names:
InChIKey: SAPNXPWPAUFAJU-UHFFFAOYSA-N
SMILES: CN(CCCN3c1ccccc1CCc2ccccc23)CC(=O)c4ccc(Cl)cc4

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006017 Edit

Molecule Structure InChIKey: SAPNXPWPAUFAJU-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(CCCN3c1ccccc1CCc2ccccc23)CC(=O)c4ccc(Cl)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006017
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.1058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    3.1058    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2811    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9696    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3337    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6452    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6190    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1304    4.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4304    5.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0197    4.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.0058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3058    0.0000 Cl  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
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
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 15 14  1  0  0  0  0
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 21  2  1  0  0  0  0
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 23 22  2  0  0  0  0
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 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006017-3D
FYIcenter.com

 57 60  0     1  0  0  0  0  0999 V2000
   -8.3737    0.7588    1.4181 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523   -1.0006   -1.2657 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6652   -0.0620   -0.7240 N   0  0  0  0  0  0  0  0  0  0  0  0
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 29 57  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1547👍, 0💬