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

Systemtic Name: 2,6-bis(fluoranyl)-N-[4-(3-methoxypropyl)-2-methyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl]benzamide Openeye Name: 2,6-difluoro-N-[4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide CAS Name: 2,6-difluoro-N-[4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide IUPAC Name: 2,6-difluoro-N-[4-(3-methoxypropyl)-2-methyl-3-oxo-5H-1,4-benzoxazepin-7-yl]benzamide Traditional Name: 2,6-difluoro-N-[3-keto-4-(3-methoxypropyl)-2-methyl-5H-1,4-benzoxazepin-7-yl]benzamide Formula: C21H22F2N2O4 MolecularWeight: 404.407186

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)CCCOC

Isomeric SMILES

CC1C(=O)N(CC2=C(O1)C=CC(=C2)NC(=O)C3=C(C=CC=C3F)F)CCCOC

InChI

InChI=1S/C21H22F2N2O4/c1-13-21(27)25(9-4-10-28-2)12-14-11-15(7-8-18(14)29-13)24-20(26)19-16(22)5-3-6-17(19)23/h3,5-8,11,13H,4,9-10,12H2,1-2H3,(H,24,26)