2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile

Systemtic Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-pentanenitrile CAS Name: 2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexylpentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-[3,4-bis(trifluoromethyl)phenyl]-2-cyclohexyl-valeronitrile Formula: C29H34F6N2 MolecularWeight: 524.584079

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)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C29H34F6N2/c1-2-17-37(20-22-10-5-3-6-11-22)18-9-16-27(21-36,23-12-7-4-8-13-23)24-14-15-25(28(30,31)32)26(19-24)29(33,34)35/h3,5-6,10-11,14-15,19,23H,2,4,7-9,12-13,16-18,20H2,1H3