2-(3,4-dimethoxyphenyl)-5-[[1-(phenylmethyl)piperidin-4-yl]amino]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-(3,4-dimethoxyphenyl)-5-[[1-(phenylmethyl)piperidin-4-yl]amino]-2-propan-2-yl-pentanenitrile Openeye Name: 5-[(1-benzyl-4-piperidyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 2-(3,4-dimethoxyphenyl)-5-[[1-(phenylmethyl)-4-piperidinyl]amino]-2-propan-2-ylpentanenitrile IUPAC Name: 5-[(1-benzylpiperidin-4-yl)amino]-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-[(1-benzyl-4-piperidyl)amino]-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C28H39N3O2 MolecularWeight: 449.62816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCNC1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)C(CCCNC1CCN(CC1)CC2=CC=CC=C2)(C#N)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C28H39N3O2/c1-22(2)28(21-29,24-11-12-26(32-3)27(19-24)33-4)15-8-16-30-25-13-17-31(18-14-25)20-23-9-6-5-7-10-23/h5-7,9-12,19,22,25,30H,8,13-18,20H2,1-4H3