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

Systemtic Name: N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3,5-bis(trifluoromethyl)benzamide Openeye Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3,5-bis(trifluoromethyl)benzamide CAS Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3,5-bis(trifluoromethyl)benzamide IUPAC Name: N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3,5-bis(trifluoromethyl)benzamide Traditional Name: N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3,5-bis(trifluoromethyl)benzamide Formula: C22H20F6N2O3 MolecularWeight: 474.396219

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20F6N2O3/c1-4-30-16-6-5-15(10-17(16)33-11-20(2,3)19(30)32)29-18(31)12-7-13(21(23,24)25)9-14(8-12)22(26,27)28/h5-10H,4,11H2,1-3H3,(H,29,31)