N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-(trifluoromethyl)benzamide Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3C(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C21H21F3N2O3/c1-4-26-16-10-9-13(11-17(16)29-12-20(2,3)19(26)28)25-18(27)14-7-5-6-8-15(14)21(22,23)24/h5-11H,4,12H2,1-3H3,(H,25,27)