N-(4-butan-2-yl-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2,4-bis(fluoranyl)benzamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)F)OC(C1=O)C

Isomeric SMILES

CCC(C)N1CC2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)F)OC(C1=O)C

InChI

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