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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCC2)C3=C(C=CC=C3F)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCC2)C3=C(C=CC=C3F)F

InChI

InChI=1S/C27H34F2N2/c1-3-18-31(19-21-10-6-5-7-11-21)23(4-2)16-17-27(20-30,22-12-8-13-22)26-24(28)14-9-15-25(26)29/h5-7,9-11,14-15,22-23H,3-4,8,12-13,16-19H2,1-2H3