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

Systemtic Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]-2,6-bis(fluoranyl)benzamide Openeye Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2,6-difluoro-benzamide CAS Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2,6-difluorobenzamide IUPAC Name: N-[2-ethyl-4-(3-methoxypropyl)-3-oxo-5H-1,4-benzoxazepin-7-yl]-2,6-difluorobenzamide Traditional Name: N-[2-ethyl-3-keto-4-(3-methoxypropyl)-5H-1,4-benzoxazepin-7-yl]-2,6-difluoro-benzamide Formula: C22H24F2N2O4 MolecularWeight: 418.433766

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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)CCCOC

Isomeric SMILES

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

InChI

InChI=1S/C22H24F2N2O4/c1-3-18-22(28)26(10-5-11-29-2)13-14-12-15(8-9-19(14)30-18)25-21(27)20-16(23)6-4-7-17(20)24/h4,6-9,12,18H,3,5,10-11,13H2,1-2H3,(H,25,27)