1-(4-cycloheptylpiperazin-1-yl)-2-[3-(phenylmethyl)phenyl]propan-1-one hydrochloride

Systemtic Name: 1-(4-cycloheptylpiperazin-1-yl)-2-[3-(phenylmethyl)phenyl]propan-1-one hydrochloride Openeye Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazin-1-yl)propan-1-one hydrochloride CAS Name: 1-(4-cycloheptyl-1-piperazinyl)-2-[3-(phenylmethyl)phenyl]-1-propanone hydrochloride IUPAC Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazin-1-yl)propan-1-one hydrochloride Traditional Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazino)propan-1-one hydrochloride Formula: C27H37ClN2O MolecularWeight: 441.04848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCCC4.Cl

Isomeric SMILES

CC(C1=CC=CC(=C1)CC2=CC=CC=C2)C(=O)N3CCN(CC3)C4CCCCCC4.Cl

InChI

InChI=1S/C27H36N2O.ClH/c1-22(25-13-9-12-24(21-25)20-23-10-5-4-6-11-23)27(30)29-18-16-28(17-19-29)26-14-7-2-3-8-15-26;/h4-6,9-13,21-22,26H,2-3,7-8,14-20H2,1H3;1H