2-(3-cyano-3-methyl-butyl)-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide

Systemtic Name: 2-(3-cyano-3-methyl-butyl)-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide Openeye Name: 2-(3-cyano-3-methyl-butyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]isoindoline-1-carboxamide CAS Name: 2-(3-cyano-3-methylbutyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide IUPAC Name: 2-(3-cyano-3-methylbutyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide Traditional Name: 2-(3-cyano-3-methyl-butyl)-3-keto-N-[4-(trifluoromethoxy)benzyl]isoindoline-1-carboxamide Formula: C23H22F3N3O3 MolecularWeight: 445.43429

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCN1C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)C#N

Isomeric SMILES

CC(C)(CCN1C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)C#N

InChI

InChI=1S/C23H22F3N3O3/c1-22(2,14-27)11-12-29-19(17-5-3-4-6-18(17)21(29)31)20(30)28-13-15-7-9-16(10-8-15)32-23(24,25)26/h3-10,19H,11-13H2,1-2H3,(H,28,30)