2-cyclohexyl-2-(2-fluorophenyl)-5-[(phenylmethyl)-propyl-amino]hexanenitrile

Systemtic Name: 2-cyclohexyl-2-(2-fluorophenyl)-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(2-fluorophenyl)hexanenitrile CAS Name: 2-cyclohexyl-2-(2-fluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(2-fluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(2-fluorophenyl)hexanenitrile Formula: C28H37FN2 MolecularWeight: 420.605183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCCC2)C3=CC=CC=C3F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCCC2)C3=CC=CC=C3F

InChI

InChI=1S/C28H37FN2/c1-3-20-31(21-24-12-6-4-7-13-24)23(2)18-19-28(22-30,25-14-8-5-9-15-25)26-16-10-11-17-27(26)29/h4,6-7,10-13,16-17,23,25H,3,5,8-9,14-15,18-21H2,1-2H3