2-phenyl-5-[4-[2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile

Systemtic Name: 2-phenyl-5-[4-[2-[(phenylmethyl)amino]ethyl]piperazin-1-yl]-2-propan-2-yl-pentanenitrile Openeye Name: 5-[4-[2-(benzylamino)ethyl]piperazin-1-yl]-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 2-phenyl-5-[4-[2-[(phenylmethyl)amino]ethyl]-1-piperazinyl]-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-[2-(benzylamino)ethyl]piperazin-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-[4-[2-(benzylamino)ethyl]piperazino]-2-isopropyl-2-phenyl-valeronitrile Formula: C27H38N4 MolecularWeight: 418.61742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCN(CC1)CCNCC2=CC=CC=C2)(C#N)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(CCCN1CCN(CC1)CCNCC2=CC=CC=C2)(C#N)C3=CC=CC=C3

InChI

InChI=1S/C27H38N4/c1-24(2)27(23-28,26-12-7-4-8-13-26)14-9-16-30-18-20-31(21-19-30)17-15-29-22-25-10-5-3-6-11-25/h3-8,10-13,24,29H,9,14-22H2,1-2H3