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

Systemtic Name: 5-[4-(4-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2-(4-phenylmethoxyphenyl)pentanenitrile Openeye Name: 2-(4-benzyloxyphenyl)-5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidyl]pentanenitrile CAS Name: 5-[4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl]-2-(4-phenylmethoxyphenyl)pentanenitrile IUPAC Name: 5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(4-phenylmethoxyphenyl)pentanenitrile Traditional Name: 2-(4-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=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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