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

Systemtic Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone hydrochloride Openeye Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone hydrochloride CAS Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone hydrochloride IUPAC Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone hydrochloride Traditional Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazino]-1-pyrrolidino-ethanone hydrochloride Formula: C26H42ClN3O MolecularWeight: 448.08418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)N4CCCC4.Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C2=CC=CC=C2N3CCN(CC3)CC(=O)N4CCCC4.Cl

InChI

InChI=1S/C26H41N3O.ClH/c1-26(2,3)22-12-10-21(11-13-22)23-8-4-5-9-24(23)28-18-16-27(17-19-28)20-25(30)29-14-6-7-15-29;/h4-5,8-9,21-22H,6-7,10-20H2,1-3H3;1H