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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(N(C2=O)CCC#N)C(=O)NCCC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(N(C2=O)CCC#N)C(=O)NCCC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H18F3N3O3/c22-21(23,24)30-15-8-6-14(7-9-15)10-12-26-19(28)18-16-4-1-2-5-17(16)20(29)27(18)13-3-11-25/h1-2,4-9,18H,3,10,12-13H2,(H,26,28)