2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-piperidin-1-yl-propan-1-one hydrochloride

Systemtic Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-piperidin-1-yl-propan-1-one hydrochloride Openeye Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-(1-piperidyl)propan-1-one hydrochloride CAS Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]-1-piperazinyl]-1-(1-piperidinyl)-1-propanone hydrochloride IUPAC Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one hydrochloride Traditional Name: 2-[4-[2-(4-tert-butylcyclohexyl)phenyl]piperazino]-1-piperidino-propan-1-one hydrochloride Formula: C28H46ClN3O MolecularWeight: 476.13734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCC1)N2CCN(CC2)C3=CC=CC=C3C4CCC(CC4)C(C)(C)C.Cl

Isomeric SMILES

CC(C(=O)N1CCCCC1)N2CCN(CC2)C3=CC=CC=C3C4CCC(CC4)C(C)(C)C.Cl

InChI

InChI=1S/C28H45N3O.ClH/c1-22(27(32)31-16-8-5-9-17-31)29-18-20-30(21-19-29)26-11-7-6-10-25(26)23-12-14-24(15-13-23)28(2,3)4;/h6-7,10-11,22-24H,5,8-9,12-21H2,1-4H3;1H