1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea

Systemtic Name: 1-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea Openeye Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea CAS Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea IUPAC Name: 1-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea Traditional Name: 1-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-3-[2-(trifluoromethyl)phenyl]urea Formula: C21H22F3N3O3 MolecularWeight: 421.41289

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)NC3=CC=CC=C3C(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C21H22F3N3O3/c1-4-27-16-10-9-13(11-17(16)30-12-20(2,3)18(27)28)25-19(29)26-15-8-6-5-7-14(15)21(22,23)24/h5-11H,4,12H2,1-3H3,(H2,25,26,29)