(4-tert-butylphenyl)-[4-(diphenylmethyl)piperazin-1-yl]methanone hydrochloride

Systemtic Name: (4-tert-butylphenyl)-[4-(diphenylmethyl)piperazin-1-yl]methanone hydrochloride Openeye Name: (4-benzhydrylpiperazin-1-yl)-(4-tert-butylphenyl)methanone hydrochloride CAS Name: (4-tert-butylphenyl)-[4-(diphenylmethyl)-1-piperazinyl]methanone hydrochloride IUPAC Name: (4-benzhydrylpiperazin-1-yl)-(4-tert-butylphenyl)methanone hydrochloride Traditional Name: (4-benzhydrylpiperazino)-(4-tert-butylphenyl)methanone hydrochloride Formula: C28H33ClN2O MolecularWeight: 449.02742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C28H32N2O.ClH/c1-28(2,3)25-16-14-24(15-17-25)27(31)30-20-18-29(19-21-30)26(22-10-6-4-7-11-22)23-12-8-5-9-13-23;/h4-17,26H,18-21H2,1-3H3;1H