1-cyclobutyl-1-oxidanyl-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-one dihydrochloride

Systemtic Name: 1-cyclobutyl-1-oxidanyl-1-phenyl-3-[4-(phenylmethyl)piperazin-1-yl]propan-2-one dihydrochloride Openeye Name: 3-(4-benzylpiperazin-1-yl)-1-cyclobutyl-1-hydroxy-1-phenyl-propan-2-one dihydrochloride CAS Name: 1-cyclobutyl-1-hydroxy-1-phenyl-3-[4-(phenylmethyl)-1-piperazinyl]-2-propanone dihydrochloride IUPAC Name: 3-(4-benzylpiperazin-1-yl)-1-cyclobutyl-1-hydroxy-1-phenylpropan-2-one dihydrochloride Traditional Name: 3-(4-benzylpiperazino)-1-cyclobutyl-1-hydroxy-1-phenyl-acetone dihydrochloride Formula: C24H32Cl2N2O2 MolecularWeight: 451.42908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC=CC=C4)O.Cl.Cl

Isomeric SMILES

C1CC(C1)C(C2=CC=CC=C2)(C(=O)CN3CCN(CC3)CC4=CC=CC=C4)O.Cl.Cl

InChI

InChI=1S/C24H30N2O2.2ClH/c27-23(24(28,22-12-7-13-22)21-10-5-2-6-11-21)19-26-16-14-25(15-17-26)18-20-8-3-1-4-9-20;;/h1-6,8-11,22,28H,7,12-19H2;2*1H