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

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(3,4-difluorophenyl)heptanenitrile CAS Name: 2-cyclohexyl-2-(3,4-difluorophenyl)-5-[(phenylmethyl)-propylamino]heptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(3,4-difluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(3,4-difluorophenyl)enanthonitrile Formula: C29H38F2N2 MolecularWeight: 452.622226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H38F2N2/c1-3-19-33(21-23-11-7-5-8-12-23)26(4-2)17-18-29(22-32,24-13-9-6-10-14-24)25-15-16-27(30)28(31)20-25/h5,7-8,11-12,15-16,20,24,26H,3-4,6,9-10,13-14,17-19,21H2,1-2H3