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

Systemtic Name: N-[4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-3-(trifluoromethyl)benzamide Openeye Name: N-(4-isopentyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-3-(trifluoromethyl)benzamide CAS Name: N-[4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-3-(trifluoromethyl)benzamide Traditional Name: N-(4-isoamyl-3-keto-5H-1,4-benzoxazepin-7-yl)-3-(trifluoromethyl)benzamide Formula: C22H23F3N2O3 MolecularWeight: 420.42483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)OCC1=O

Isomeric SMILES

CC(C)CCN1CC2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)C(F)(F)F)OCC1=O

InChI

InChI=1S/C22H23F3N2O3/c1-14(2)8-9-27-12-16-11-18(6-7-19(16)30-13-20(27)28)26-21(29)15-4-3-5-17(10-15)22(23,24)25/h3-7,10-11,14H,8-9,12-13H2,1-2H3,(H,26,29)