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

Systemtic Name: 2-(2-cyanoethyl)-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide Openeye Name: 2-(2-cyanoethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]isoindoline-1-carboxamide CAS Name: 2-(2-cyanoethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide IUPAC Name: 2-(2-cyanoethyl)-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide Traditional Name: 2-(2-cyanoethyl)-3-keto-N-[4-(trifluoromethoxy)benzyl]isoindoline-1-carboxamide Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CCC#N)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CCC#N)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H16F3N3O3/c21-20(22,23)29-14-8-6-13(7-9-14)12-25-18(27)17-15-4-1-2-5-16(15)19(28)26(17)11-3-10-24/h1-2,4-9,17H,3,11-12H2,(H,25,27)