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

Systemtic Name: 2-cyclobutyl-5-[methyl-(phenylmethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile Openeye Name: 5-[benzyl(methyl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile CAS Name: 2-cyclobutyl-5-[methyl-(phenylmethyl)amino]-2-[2-(trifluoromethyl)phenyl]heptanenitrile IUPAC Name: 5-[benzyl(methyl)amino]-2-cyclobutyl-2-[2-(trifluoromethyl)phenyl]heptanenitrile Traditional Name: 5-[benzyl(methyl)amino]-2-cyclobutyl-2-[2-(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=CC=C2C(F)(F)F)N(C)CC3=CC=CC=C3

Isomeric SMILES

CCC(CCC(C#N)(C1CCC1)C2=CC=CC=C2C(F)(F)F)N(C)CC3=CC=CC=C3

InChI

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