
 CHEMBL105659

 80 84  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL105659

>  <PubChem CID>
483343

>  <Formula>
C34H40N4O2

>  <Molecular Weight>
536.720000

>  <IUPAC Name>
benzyl N-[1-[4-(benzimidazol-1-yl)-3-methyl-3-phenylbutyl]piperidin-4-yl]-N-prop-2-enylcarbamate

>  <XlogP>
6.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=CC=C2)(CN3C=NC4=CC=CC=C43)C5=CC=CC=C5

>  <Isomeric SMILES>
CC(CCN1CCC(CC1)N(CC=C)C(=O)OCC2=CC=CC=C2)(CN3C=NC4=CC=CC=C43)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C34H40N4O2/c1-3-21-38(33(39)40-25-28-12-6-4-7-13-28)30-18-22-36(23-19-30)24-20-34(2,29-14-8-5-9-15-29)26-37-27-35-31-16-10-11-17-32(31)37/h3-17,27,30H,1,18-26H2,2H3

>  <InChI Key>
BZHHPFLVFONUOE-UHFFFAOYSA-N

