2-[3,4-bis(fluoranyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)hexanenitrile CAS Name: 2-cyclobutyl-2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(3,4-difluorophenyl)hexanenitrile Formula: C26H32F2N2 MolecularWeight: 410.542486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32F2N2/c1-3-16-30(18-21-8-5-4-6-9-21)20(2)14-15-26(19-29,22-10-7-11-22)23-12-13-24(27)25(28)17-23/h4-6,8-9,12-13,17,20,22H,3,7,10-11,14-16,18H2,1-2H3