1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(phenylmethyl)piperazin-2-one hydrochloride

Systemtic Name: 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(phenylmethyl)piperazin-2-one hydrochloride Openeye Name: 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one hydrochloride CAS Name: 1-[2-(4-tert-butylcyclohexyl)phenyl]-4-(phenylmethyl)-2-piperazinone hydrochloride IUPAC Name: 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one hydrochloride Traditional Name: 4-benzyl-1-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-2-one hydrochloride Formula: C27H37ClN2O MolecularWeight: 441.04848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3=O)CC4=CC=CC=C4.Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3=O)CC4=CC=CC=C4.Cl

InChI

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