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

Systemtic Name: 2-methyl-N-[3-oxidanylidene-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]propanamide Openeye Name: 2-methyl-N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]propanamide CAS Name: 2-methyl-N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]propanamide IUPAC Name: 2-methyl-N-[3-oxo-4-[[3-(trifluoromethyl)phenyl]methyl]-5H-1,4-benzoxazepin-7-yl]propanamide Traditional Name: N-[3-keto-4-[3-(trifluoromethyl)benzyl]-5H-1,4-benzoxazepin-7-yl]-2-methyl-propionamide Formula: C21H21F3N2O3 MolecularWeight: 406.39825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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