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

Systemtic Name: N-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-2,4-bis(fluoranyl)benzamide Openeye Name: N-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2,4-difluoro-benzamide CAS Name: N-[2-ethyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-2,4-difluorobenzamide IUPAC Name: N-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2,4-difluorobenzamide Traditional Name: N-(4-benzyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)-2,4-difluoro-benzamide Formula: C25H22F2N2O3 MolecularWeight: 436.450586

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)F)CC4=CC=CC=C4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)F)CC4=CC=CC=C4

InChI

InChI=1S/C25H22F2N2O3/c1-2-22-25(31)29(14-16-6-4-3-5-7-16)15-17-12-19(9-11-23(17)32-22)28-24(30)20-10-8-18(26)13-21(20)27/h3-13,22H,2,14-15H2,1H3,(H,28,30)