N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3,4-bis(fluoranyl)benzamide

Systemtic Name: N-(3,3-dimethyl-4-oxidanylidene-5-propyl-2H-1,5-benzoxazepin-8-yl)-3,4-bis(fluoranyl)benzamide Openeye Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3,4-difluoro-benzamide CAS Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3,4-difluorobenzamide IUPAC Name: N-(3,3-dimethyl-4-oxo-5-propyl-2H-1,5-benzoxazepin-8-yl)-3,4-difluorobenzamide Traditional Name: 3,4-difluoro-N-(4-keto-3,3-dimethyl-5-propyl-2H-1,5-benzoxazepin-8-yl)benzamide Formula: C21H22F2N2O3 MolecularWeight: 388.407786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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