N-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-2,6-bis(fluoranyl)benzamide

Systemtic Name: N-[2-ethyl-3-oxidanylidene-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-2,6-bis(fluoranyl)benzamide Openeye Name: N-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2,6-difluoro-benzamide CAS Name: N-[2-ethyl-3-oxo-4-(phenylmethyl)-5H-1,4-benzoxazepin-7-yl]-2,6-difluorobenzamide IUPAC Name: N-(4-benzyl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2,6-difluorobenzamide Traditional Name: N-(4-benzyl-2-ethyl-3-keto-5H-1,4-benzoxazepin-7-yl)-2,6-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=CC=C3F)F)CC4=CC=CC=C4

Isomeric SMILES

CCC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)CC4=CC=CC=C4

InChI

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