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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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