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

Systemtic Name: N-[3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenyl-ethanamide Openeye Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenyl-acetamide CAS Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide IUPAC Name: N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]-2-phenylacetamide Traditional Name: N-[3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepin-7-yl]-2-phenyl-acetamide Formula: C25H21F3N2O3 MolecularWeight: 454.44105

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)OCC(=O)N1CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1C2=C(C=CC(=C2)NC(=O)CC3=CC=CC=C3)OCC(=O)N1CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C25H21F3N2O3/c26-25(27,28)20-8-4-7-18(11-20)14-30-15-19-13-21(9-10-22(19)33-16-24(30)32)29-23(31)12-17-5-2-1-3-6-17/h1-11,13H,12,14-16H2,(H,29,31)