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

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-2-cyclobutyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)hexanenitrile CAS Name: 2-cyclobutyl-2-(2,6-difluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-difluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclobutyl-2-(2,6-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=C(C=CC=C3F)F

Isomeric SMILES

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

InChI

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