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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=C4

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)CC4=CC=CC=C4

InChI

InChI=1S/C25H21F3N2O3/c1-16-24(32)30(14-17-6-3-2-4-7-17)15-19-13-21(10-11-22(19)33-16)29-23(31)18-8-5-9-20(12-18)25(26,27)28/h2-13,16H,14-15H2,1H3,(H,29,31)