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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(C#N)(C1CCC1)C2=CC=C(C=C2)C(F)(F)F)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CCC1)C2=CC=C(C=C2)C(F)(F)F)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C26H31F3N2/c1-3-24(31(2)18-20-8-5-4-6-9-20)16-17-25(19-30,21-10-7-11-21)22-12-14-23(15-13-22)26(27,28)29/h4-6,8-9,12-15,21,24H,3,7,10-11,16-18H2,1-2H3