2-cyclobutyl-2-(4-fluorophenyl)-5-[(phenylmethyl)-propyl-amino]hexanenitrile

Systemtic Name: 2-cyclobutyl-2-(4-fluorophenyl)-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(4-fluorophenyl)hexanenitrile CAS Name: 2-cyclobutyl-2-(4-fluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(4-fluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(4-fluorophenyl)hexanenitrile Formula: C26H33FN2 MolecularWeight: 392.552023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCC2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H33FN2/c1-3-18-29(19-22-8-5-4-6-9-22)21(2)16-17-26(20-28,23-10-7-11-23)24-12-14-25(27)15-13-24/h4-6,8-9,12-15,21,23H,3,7,10-11,16-19H2,1-2H3