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

Systemtic Name: 1-(4-cycloheptylpiperazin-1-yl)-2-[3-(phenylmethyl)phenyl]ethanone hydrochloride Openeye Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone hydrochloride CAS Name: 1-(4-cycloheptyl-1-piperazinyl)-2-[3-(phenylmethyl)phenyl]ethanone hydrochloride IUPAC Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazin-1-yl)ethanone hydrochloride Traditional Name: 2-(3-benzylphenyl)-1-(4-cycloheptylpiperazino)ethanone hydrochloride Formula: C26H35ClN2O MolecularWeight: 427.0219

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2CCN(CC2)C(=O)CC3=CC=CC(=C3)CC4=CC=CC=C4.Cl

Isomeric SMILES

C1CCCC(CC1)N2CCN(CC2)C(=O)CC3=CC=CC(=C3)CC4=CC=CC=C4.Cl

InChI

InChI=1S/C26H34N2O.ClH/c29-26(28-17-15-27(16-18-28)25-13-6-1-2-7-14-25)21-24-12-8-11-23(20-24)19-22-9-4-3-5-10-22;/h3-5,8-12,20,25H,1-2,6-7,13-19,21H2;1H