1-ethyl-3-[3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]urea

Systemtic Name: 1-ethyl-3-[3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]urea Openeye Name: 1-ethyl-3-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]urea CAS Name: 1-ethyl-3-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]urea IUPAC Name: 1-ethyl-3-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]urea Traditional Name: 1-ethyl-3-[3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepin-7-yl]urea Formula: C20H20F3N3O3 MolecularWeight: 407.38631

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC1=CC2=C(C=C1)OCC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CCNC(=O)NC1=CC2=C(C=C1)OCC(=O)N(C2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O3/c1-2-24-19(28)25-16-6-7-17-14(9-16)11-26(18(27)12-29-17)10-13-4-3-5-15(8-13)20(21,22)23/h3-9H,2,10-12H2,1H3,(H2,24,25,28)