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

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-difluorophenyl)heptanenitrile CAS Name: 2-cyclopentyl-2-(2,6-difluorophenyl)-5-[(phenylmethyl)-propylamino]heptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-difluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(2,6-difluorophenyl)enanthonitrile Formula: C28H36F2N2 MolecularWeight: 438.595646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H36F2N2/c1-3-19-32(20-22-11-6-5-7-12-22)24(4-2)17-18-28(21-31,23-13-8-9-14-23)27-25(29)15-10-16-26(27)30/h5-7,10-12,15-16,23-24H,3-4,8-9,13-14,17-20H2,1-2H3