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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCCC2)C3=C(C=CC=C3F)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCCC2)C3=C(C=CC=C3F)F

InChI

InChI=1S/C28H36F2N2/c1-3-19-32(20-23-11-6-4-7-12-23)22(2)17-18-28(21-31,24-13-8-5-9-14-24)27-25(29)15-10-16-26(27)30/h4,6-7,10-12,15-16,22,24H,3,5,8-9,13-14,17-20H2,1-2H3