5-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-[4-[2-(3,4-dimethoxyphenoxy)ethyl]-1-piperazinyl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(3,4-dimethoxyphenoxy)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C28H39N3O3 MolecularWeight: 465.62756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=C(C=C2)OC)OC)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCOC2=CC(=C(C=C2)OC)OC)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C28H39N3O3/c1-23(2)28(22-29,24-9-6-5-7-10-24)13-8-14-30-15-17-31(18-16-30)19-20-34-25-11-12-26(32-3)27(21-25)33-4/h5-7,9-12,21,23H,8,13-20H2,1-4H3