N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-2-(trifluoromethyl)benzamide

Systemtic Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethyl-but-1-en-2-yl]-2-(trifluoromethyl)benzamide Openeye Name: N-[(1E)-1-[cyano-(3,5-dimethylphenyl)methylene]-2,2-dimethyl-propyl]-2-(trifluoromethyl)benzamide CAS Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-2-(trifluoromethyl)benzamide IUPAC Name: N-[(E)-1-cyano-1-(3,5-dimethylphenyl)-3,3-dimethylbut-1-en-2-yl]-2-(trifluoromethyl)benzamide Traditional Name: N-[(E)-1-tert-butyl-2-cyano-2-(3,5-dimethylphenyl)vinyl]-2-(trifluoromethyl)benzamide Formula: C23H23F3N2O MolecularWeight: 400.43673

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=C(C(C)(C)C)NC(=O)C2=CC=CC=C2C(F)(F)F)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)/C(=C(/C(C)(C)C)\NC(=O)C2=CC=CC=C2C(F)(F)F)/C#N)C

InChI

InChI=1S/C23H23F3N2O/c1-14-10-15(2)12-16(11-14)18(13-27)20(22(3,4)5)28-21(29)17-8-6-7-9-19(17)23(24,25)26/h6-12H,1-5H3,(H,28,29)/b20-18-