4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2,2-diphenyl-butanenitrile hydrochloride

Systemtic Name: 4-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2,2-diphenyl-butanenitrile hydrochloride Openeye Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]-2,2-diphenyl-butanenitrile hydrochloride CAS Name: 4-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2,2-diphenylbutanenitrile hydrochloride IUPAC Name: 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylbutanenitrile hydrochloride Traditional Name: 4-[4-(4-chlorophenyl)-4-hydroxy-piperidino]-2,2-diphenyl-butyronitrile hydrochloride Formula: C27H28Cl2N2O MolecularWeight: 467.43002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCC(C#N)(C3=CC=CC=C3)C4=CC=CC=C4.Cl

InChI

InChI=1S/C27H27ClN2O.ClH/c28-25-13-11-24(12-14-25)27(31)16-19-30(20-17-27)18-15-26(21-29,22-7-3-1-4-8-22)23-9-5-2-6-10-23;/h1-14,31H,15-20H2;1H