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

Systemtic Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]pentanenitrile CAS Name: 2-cyclohexyl-5-[methyl-(phenylmethyl)amino]-2-[4-(trifluoromethyl)phenyl]pentanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]pentanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclohexyl-2-[4-(trifluoromethyl)phenyl]valeronitrile Formula: C26H31F3N2 MolecularWeight: 428.53295

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31F3N2/c1-31(19-21-9-4-2-5-10-21)18-8-17-25(20-30,22-11-6-3-7-12-22)23-13-15-24(16-14-23)26(27,28)29/h2,4-5,9-10,13-16,22H,3,6-8,11-12,17-19H2,1H3