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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-cyclopropyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclopropyl-2-(3,4-difluorophenyl)hexanenitrile CAS Name: 2-cyclopropyl-2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclopropyl-2-(3,4-difluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclopropyl-2-(3,4-difluorophenyl)hexanenitrile Formula: C25H30F2N2 MolecularWeight: 396.515906

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CC2)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CC2)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C25H30F2N2/c1-3-15-29(17-20-7-5-4-6-8-20)19(2)13-14-25(18-28,21-9-10-21)22-11-12-23(26)24(27)16-22/h4-8,11-12,16,19,21H,3,9-10,13-15,17H2,1-2H3