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

Systemtic Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]hexanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile CAS Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]hexanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]hexanenitrile Formula: C27H33F3N2 MolecularWeight: 442.55953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33F3N2/c1-21(32(2)19-22-9-5-3-6-10-22)17-18-26(20-31,23-11-7-4-8-12-23)24-13-15-25(16-14-24)27(28,29)30/h3,5-6,9-10,13-16,21,23H,4,7-8,11-12,17-19H2,1-2H3