2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[2-(trifluoromethyl)phenyl]enanthonitrile Formula: C28H35F3N2 MolecularWeight: 456.58611

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CCCCC1)C2=CC=CC=C2C(F)(F)F)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CCCCC1)C2=CC=CC=C2C(F)(F)F)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C28H35F3N2/c1-3-24(33(2)20-22-12-6-4-7-13-22)18-19-27(21-32,23-14-8-5-9-15-23)25-16-10-11-17-26(25)28(29,30)31/h4,6-7,10-13,16-17,23-24H,3,5,8-9,14-15,18-20H2,1-2H3