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

Systemtic Name: 2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]pentanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclobutyl-pentanenitrile CAS Name: 2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propylamino]pentanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclobutylpentanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-[2,6-bis(trifluoromethyl)phenyl]-2-cyclobutyl-valeronitrile Formula: C27H30F6N2 MolecularWeight: 496.530919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCC1)C2=C(C=CC=C2C(F)(F)F)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C27H30F6N2/c1-2-16-35(18-20-9-4-3-5-10-20)17-8-15-25(19-34,21-11-6-12-21)24-22(26(28,29)30)13-7-14-23(24)27(31,32)33/h3-5,7,9-10,13-14,21H,2,6,8,11-12,15-18H2,1H3