5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-(3-phenylmethoxyphenyl)pentanenitrile

Systemtic Name: 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-(3-phenylmethoxyphenyl)pentanenitrile Openeye Name: 2-(3-benzyloxyphenyl)-5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]pentanenitrile CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-(3-phenylmethoxyphenyl)pentanenitrile IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(3-phenylmethoxyphenyl)pentanenitrile Traditional Name: 2-(3-benzoxyphenyl)-5-[4-(4-chlorophenyl)-4-hydroxy-piperidino]valeronitrile Formula: C29H31ClN2O2 MolecularWeight: 475.02164

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C29H31ClN2O2/c30-27-13-11-26(12-14-27)29(33)15-18-32(19-16-29)17-5-9-25(21-31)24-8-4-10-28(20-24)34-22-23-6-2-1-3-7-23/h1-4,6-8,10-14,20,25,33H,5,9,15-19,22H2