2,4-bis(fluoranyl)-N-[4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide

Systemtic Name: 2,4-bis(fluoranyl)-N-[4-(3-methylbutyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 2,4-difluoro-N-(4-isopentyl-3-oxo-5H-1,4-benzoxazepin-7-yl)benzamide CAS Name: 2,4-difluoro-N-[4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 2,4-difluoro-N-[4-(3-methylbutyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 2,4-difluoro-N-(4-isoamyl-3-keto-5H-1,4-benzoxazepin-7-yl)benzamide Formula: C21H22F2N2O3 MolecularWeight: 388.407786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F2N2O3/c1-13(2)7-8-25-11-14-9-16(4-6-19(14)28-12-20(25)26)24-21(27)17-5-3-15(22)10-18(17)23/h3-6,9-10,13H,7-8,11-12H2,1-2H3,(H,24,27)