2-bromanyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide

Systemtic Name: 2-bromanyl-N-(5-ethyl-3,3-dimethyl-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide Openeye Name: 2-bromo-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide CAS Name: 2-bromo-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-5-methoxybenzamide IUPAC Name: 2-bromo-N-(5-ethyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-5-methoxybenzamide Traditional Name: 2-bromo-N-(5-ethyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide Formula: C21H23BrN2O4 MolecularWeight: 447.32232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)OCC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)OCC(C1=O)(C)C

InChI

InChI=1S/C21H23BrN2O4/c1-5-24-17-9-6-13(10-18(17)28-12-21(2,3)20(24)26)23-19(25)15-11-14(27-4)7-8-16(15)22/h6-11H,5,12H2,1-4H3,(H,23,25)