
 CHEMBL301437

 66 68  0  0  0  0  0  0  0  0999 V2000
   -3.0489    1.2921   -4.2201 C   0  0  0  0  0
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    0.4379   -5.0574   -3.9595 H   0  0  0  0  0
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    5.3345  -10.5810   -9.1007 H   0  0  0  0  0
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    1.1203   -6.0472   -8.4161 H   0  0  0  0  0
   -2.2947    1.2208   -1.8022 H   0  0  0  0  0
  1  2  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2 32  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
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 32 66  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL301437

>  <PubChem CID>
44300632

>  <Formula>
C26H34Cl2N2O2

>  <Molecular Weight>
477.470000

>  <IUPAC Name>
N-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]butyl]-N-methylbenzamide

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C)(C1CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)O

>  <Isomeric SMILES>
CC(C)(C1CCN(CC1)CCC(CN(C)C(=O)C2=CC=CC=C2)C3=CC(=C(C=C3)Cl)Cl)O

>  <InChI Std. ID>
InChI=1S/C26H34Cl2N2O2/c1-26(2,32)22-12-15-30(16-13-22)14-11-21(20-9-10-23(27)24(28)17-20)18-29(3)25(31)19-7-5-4-6-8-19/h4-10,17,21-22,32H,11-16,18H2,1-3H3

>  <InChI Key>
DAJSDTWHSJMFGK-UHFFFAOYSA-N

