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

Systemtic Name: 5-[4-(3-chlorophenyl)-4-oxidanyl-piperidin-1-yl]-2,2-diphenyl-pentanenitrile Openeye Name: 5-[4-(3-chlorophenyl)-4-hydroxy-1-piperidyl]-2,2-diphenyl-pentanenitrile CAS Name: 5-[4-(3-chlorophenyl)-4-hydroxy-1-piperidinyl]-2,2-diphenylpentanenitrile IUPAC Name: 5-[4-(3-chlorophenyl)-4-hydroxypiperidin-1-yl]-2,2-diphenylpentanenitrile Traditional Name: 5-[4-(3-chlorophenyl)-4-hydroxy-piperidino]-2,2-diphenyl-valeronitrile Formula: C28H29ClN2O MolecularWeight: 444.99566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29ClN2O/c29-26-14-7-13-25(21-26)28(32)16-19-31(20-17-28)18-8-15-27(22-30,23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-7,9-14,21,32H,8,15-20H2