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

Systemtic Name: N-[4-(2-methylpropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-(4-isobutyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(trifluoromethyl)benzamide CAS Name: N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-(2-methylpropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-(4-isobutyl-3-keto-5H-1,4-benzoxazepin-7-yl)-3-(trifluoromethyl)benzamide Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)OCC1=O

Isomeric SMILES

CC(C)CN1CC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)OCC1=O

InChI

InChI=1S/C21H21F3N2O3/c1-13(2)10-26-11-15-9-17(6-7-18(15)29-12-19(26)27)25-20(28)14-4-3-5-16(8-14)21(22,23)24/h3-9,13H,10-12H2,1-2H3,(H,25,28)