N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-(trifluoromethyl)benzamide

Systemtic Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]-4-(trifluoromethyl)benzamide Openeye Name: N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethyl)benzamide CAS Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-(trifluoromethyl)benzamide IUPAC Name: N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-4-(trifluoromethyl)benzamide Traditional Name: N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-4-(trifluoromethyl)benzamide Formula: C24H27F3N2O3 MolecularWeight: 448.47799

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C(F)(F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C24H27F3N2O3/c1-15(2)11-12-29-19-10-9-18(13-20(19)32-14-23(3,4)22(29)31)28-21(30)16-5-7-17(8-6-16)24(25,26)27/h5-10,13,15H,11-12,14H2,1-4H3,(H,28,30)