2-[2,6-bis(fluoranyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)pentanenitrile CAS Name: 2-cyclobutyl-2-(2,6-difluorophenyl)-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)pentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)valeronitrile Formula: C25H30F2N2 MolecularWeight: 396.515906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCC1)C2=C(C=CC=C2F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCC1)C2=C(C=CC=C2F)F)CC3=CC=CC=C3

InChI

InChI=1S/C25H30F2N2/c1-2-16-29(18-20-9-4-3-5-10-20)17-8-15-25(19-28,21-11-6-12-21)24-22(26)13-7-14-23(24)27/h3-5,7,9-10,13-14,21H,2,6,8,11-12,15-18H2,1H3