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

Systemtic Name: 2-(2-cyanoethyl)-7-fluoranyl-3-oxidanylidene-N-[[4-(trifluoromethyloxy)phenyl]methyl]-1H-isoindole-1-carboxamide Openeye Name: 2-(2-cyanoethyl)-7-fluoro-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]isoindoline-1-carboxamide CAS Name: 2-(2-cyanoethyl)-7-fluoro-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide IUPAC Name: 2-(2-cyanoethyl)-7-fluoro-3-oxo-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-isoindole-1-carboxamide Traditional Name: 2-(2-cyanoethyl)-7-fluoro-3-keto-N-[4-(trifluoromethoxy)benzyl]isoindoline-1-carboxamide Formula: C20H15F4N3O3 MolecularWeight: 421.345013

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(N(C2=O)CCC#N)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)C(=C1)F

Isomeric SMILES

C1=CC2=C(C(N(C2=O)CCC#N)C(=O)NCC3=CC=C(C=C3)OC(F)(F)F)C(=C1)F

InChI

InChI=1S/C20H15F4N3O3/c21-15-4-1-3-14-16(15)17(27(19(14)29)10-2-9-25)18(28)26-11-12-5-7-13(8-6-12)30-20(22,23)24/h1,3-8,17H,2,10-11H2,(H,26,28)