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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(3,4-difluorophenyl)hexanenitrile CAS Name: 2-cyclohexyl-2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(3,4-difluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(3,4-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=CC(=C(C=C3)F)F

Isomeric SMILES

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

InChI

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