N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-7-yl)-2,6-bis(fluoranyl)benzamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2,6-difluoro-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2,6-difluorobenzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-7-yl)-2,6-difluorobenzamide Traditional Name: 2,6-difluoro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-7-yl)benzamide Formula: C21H22F2N2O3 MolecularWeight: 388.407786

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)OCC(C1=O)(C)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)OCC(C1=O)(C)C

InChI

InChI=1S/C21H22F2N2O3/c1-4-10-25-16-11-13(8-9-17(16)28-12-21(2,3)20(25)27)24-19(26)18-14(22)6-5-7-15(18)23/h5-9,11H,4,10,12H2,1-3H3,(H,24,26)