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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCCC(C#N)(C1CCCCC1)C2=CC(=C(C=C2)F)F)CC3=CC=CC=C3

Isomeric SMILES

CCCN(CCCC(C#N)(C1CCCCC1)C2=CC(=C(C=C2)F)F)CC3=CC=CC=C3

InChI

InChI=1S/C27H34F2N2/c1-2-17-31(20-22-10-5-3-6-11-22)18-9-16-27(21-30,23-12-7-4-8-13-23)24-14-15-25(28)26(29)19-24/h3,5-6,10-11,14-15,19,23H,2,4,7-9,12-13,16-18,20H2,1H3