N-[3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Openeye Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide CAS Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-thiophenecarboxamide IUPAC Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Traditional Name: N-[3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepin-7-yl]thiophene-2-carboxamide Formula: C22H17F3N2O3S MolecularWeight: 446.44219

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)OCC(=O)N1CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)C3=CC=CS3)OCC(=O)N1CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H17F3N2O3S/c23-22(24,25)16-4-1-3-14(9-16)11-27-12-15-10-17(6-7-18(15)30-13-20(27)28)26-21(29)19-5-2-8-31-19/h1-10H,11-13H2,(H,26,29)