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

Systemtic Name: N-(4-butan-2-yl-2-ethyl-3-oxidanylidene-5H-1,4-benzoxazepin-7-yl)-2,6-bis(fluoranyl)benzamide Openeye Name: N-(2-ethyl-3-oxo-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-2,6-difluoro-benzamide CAS Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2,6-difluorobenzamide IUPAC Name: N-(4-butan-2-yl-2-ethyl-3-oxo-5H-1,4-benzoxazepin-7-yl)-2,6-difluorobenzamide Traditional Name: N-(2-ethyl-3-keto-4-sec-butyl-5H-1,4-benzoxazepin-7-yl)-2,6-difluoro-benzamide Formula: C22H24F2N2O3 MolecularWeight: 402.434366

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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)C(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C22H24F2N2O3/c1-4-13(3)26-12-14-11-15(9-10-19(14)29-18(5-2)22(26)28)25-21(27)20-16(23)7-6-8-17(20)24/h6-11,13,18H,4-5,12H2,1-3H3,(H,25,27)