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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC#N)N1C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CC(CC#N)N1C(C2=CC=CC=C2C1=O)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

InChI

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