2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-phenyl-ethanone hydrochloride

Systemtic Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-phenyl-ethanone hydrochloride Openeye Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-phenyl-ethanone hydrochloride CAS Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]-1-piperazinyl]-1-phenylethanone hydrochloride IUPAC Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-phenylethanone hydrochloride Traditional Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazino]-1-phenyl-ethanone hydrochloride Formula: C28H39ClN2O MolecularWeight: 455.07506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)C4=CC=CC=C4.Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H38N2O.ClH/c1-28(2,3)24-15-13-22(14-16-24)25-11-7-8-12-26(25)30-19-17-29(18-20-30)21-27(31)23-9-5-4-6-10-23;/h4-12,22,24H,13-21H2,1-3H3;1H