5-[4-(4-methylphenyl)-4-oxidanyl-piperidin-1-yl]-2,2-diphenyl-pentanenitrile hydrochloride

Systemtic Name: 5-[4-(4-methylphenyl)-4-oxidanyl-piperidin-1-yl]-2,2-diphenyl-pentanenitrile hydrochloride Openeye Name: 5-[4-hydroxy-4-(p-tolyl)-1-piperidyl]-2,2-diphenyl-pentanenitrile hydrochloride CAS Name: 5-[4-hydroxy-4-(4-methylphenyl)-1-piperidinyl]-2,2-diphenylpentanenitrile hydrochloride IUPAC Name: 5-[4-hydroxy-4-(4-methylphenyl)piperidin-1-yl]-2,2-diphenylpentanenitrile hydrochloride Traditional Name: 5-[4-hydroxy-4-(p-tolyl)piperidino]-2,2-diphenyl-valeronitrile hydrochloride Formula: C29H33ClN2O MolecularWeight: 461.03812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)O.Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2(CCN(CC2)CCCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4)O.Cl

InChI

InChI=1S/C29H32N2O.ClH/c1-24-13-15-27(16-14-24)29(32)18-21-31(22-19-29)20-8-17-28(23-30,25-9-4-2-5-10-25)26-11-6-3-7-12-26;/h2-7,9-16,32H,8,17-22H2,1H3;1H