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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-cyclopentyl-5-[(phenylmethyl)-propyl-amino]hexanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(3,4-difluorophenyl)hexanenitrile CAS Name: 2-cyclopentyl-2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]hexanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(3,4-difluorophenyl)hexanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclopentyl-2-(3,4-difluorophenyl)hexanenitrile Formula: C27H34F2N2 MolecularWeight: 424.569066

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCC2)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(C)CCC(C#N)(C2CCCC2)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C27H34F2N2/c1-3-17-31(19-22-9-5-4-6-10-22)21(2)15-16-27(20-30,23-11-7-8-12-23)24-13-14-25(28)26(29)18-24/h4-6,9-10,13-14,18,21,23H,3,7-8,11-12,15-17,19H2,1-2H3