2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile

Systemtic Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(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=C(C=C2)C(F)(F)F)N(C)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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