2-chloranyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-4-fluoro-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)benzamide CAS Name: 2-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-4-fluorobenzamide Traditional Name: 2-chloro-4-fluoro-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)benzamide Formula: C22H24ClFN2O3 MolecularWeight: 418.888963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)Cl)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=CC(=C2)NC(=O)C3=C(C=C(C=C3)F)Cl)OCC(C1=O)(C)C

InChI

InChI=1S/C22H24ClFN2O3/c1-13(2)11-26-18-10-15(6-8-19(18)29-12-22(3,4)21(26)28)25-20(27)16-7-5-14(24)9-17(16)23/h5-10,13H,11-12H2,1-4H3,(H,25,27)