2-(2-cyanoethyl)-7-methyl-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide

Systemtic Name: 2-(2-cyanoethyl)-7-methyl-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide Openeye Name: 2-(2-cyanoethyl)-7-methyl-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]isoindoline-1-carboxamide CAS Name: 2-(2-cyanoethyl)-7-methyl-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide IUPAC Name: 2-(2-cyanoethyl)-7-methyl-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide Traditional Name: 2-(2-cyanoethyl)-3-keto-7-methyl-N-[4-(trifluoromethoxy)benzyl]isoindoline-1-carboxamide Formula: C21H18F3N3O3 MolecularWeight: 417.38113

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C(N(C2=O)CCC#N)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC1=CC=CC2=C1C(N(C2=O)CCC#N)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c1-13-4-2-5-16-17(13)18(27(20(16)29)11-3-10-25)19(28)26-12-14-6-8-15(9-7-14)30-21(22,23)24/h2,4-9,18H,3,11-12H2,1H3,(H,26,28)