2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile

Systemtic Name: 2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 2-cyclohexyl-5-[(phenylmethyl)-propylamino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]valeronitrile Formula: C28H35F3N2 MolecularWeight: 456.58611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCCCC1)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCCCC1)C2=CC=C(C=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C28H35F3N2/c1-2-19-33(21-23-10-5-3-6-11-23)20-9-18-27(22-32,24-12-7-4-8-13-24)25-14-16-26(17-15-25)28(29,30)31/h3,5-6,10-11,14-17,24H,2,4,7-9,12-13,18-21H2,1H3