2-[2,6-bis(fluoranyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]heptanenitrile

Systemtic Name: 2-[2,6-bis(fluoranyl)phenyl]-2-cyclohexyl-5-[(phenylmethyl)-propyl-amino]heptanenitrile Openeye Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(2,6-difluorophenyl)heptanenitrile CAS Name: 2-cyclohexyl-2-(2,6-difluorophenyl)-5-[(phenylmethyl)-propylamino]heptanenitrile IUPAC Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(2,6-difluorophenyl)heptanenitrile Traditional Name: 5-[benzyl(propyl)amino]-2-cyclohexyl-2-(2,6-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=C(C=CC=C3F)F

Isomeric SMILES

CCCN(CC1=CC=CC=C1)C(CC)CCC(C#N)(C2CCCCC2)C3=C(C=CC=C3F)F

InChI

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