2-[2,6-bis(fluoranyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-difluorophenyl)hexanenitrile CAS Name: 2-cyclopentyl-2-(2,6-difluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-difluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-difluorophenyl)hexanenitrile Formula: C27H34F2N2 MolecularWeight: 424.569066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCC2)C3=C(C=CC=C3F)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCC2)C3=C(C=CC=C3F)F

InChI

InChI=1S/C27H34F2N2/c1-3-18-31(19-22-10-5-4-6-11-22)21(2)16-17-27(20-30,23-12-7-8-13-23)26-24(28)14-9-15-25(26)29/h4-6,9-11,14-15,21,23H,3,7-8,12-13,16-19H2,1-2H3