
 CHEMBL1682628

 77 81  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL1682628

>  <PubChem CID>
53317081

>  <Formula>
C33H37Cl2N3O2

>  <Molecular Weight>
578.578000

>  <IUPAC Name>
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(3,4-dichlorophenyl)-N-methyl-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC=CC=C1CN(C)C(=O)C2(CC2CN3CCC(CC3)(C4=CC=CC=C4)NC(=O)C)C5=CC(=C(C=C5)Cl)Cl

>  <Isomeric SMILES>
CC1=CC=CC=C1CN(C)C(=O)C2(CC2CN3CCC(CC3)(C4=CC=CC=C4)NC(=O)C)C5=CC(=C(C=C5)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C33H37Cl2N3O2/c1-23-9-7-8-10-25(23)21-37(3)31(40)33(27-13-14-29(34)30(35)19-27)20-28(33)22-38-17-15-32(16-18-38,36-24(2)39)26-11-5-4-6-12-26/h4-14,19,28H,15-18,20-22H2,1-3H3,(H,36,39)

>  <InChI Key>
AKNNBMGJZOFXCC-UHFFFAOYSA-N

