N-[4-cyano-3-(trifluoromethyl)phenyl]-9-ethyl-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepine-5-carboxamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-ethyl-3-oxidanylidene-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-ethyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-ethyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-ethyl-3-oxo-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-9-ethyl-3-keto-4,5-dihydro-1,4-benzoxazepine-5-carboxamide Formula: C20H16F3N3O3 MolecularWeight: 403.35455

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1OCC(=O)NC2C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

Isomeric SMILES

CCC1=CC=CC2=C1OCC(=O)NC2C(=O)NC3=CC(=C(C=C3)C#N)C(F)(F)F

InChI

InChI=1S/C20H16F3N3O3/c1-2-11-4-3-5-14-17(26-16(27)10-29-18(11)14)19(28)25-13-7-6-12(9-24)15(8-13)20(21,22)23/h3-8,17H,2,10H2,1H3,(H,25,28)(H,26,27)