2-bromanyl-5-methoxy-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide

Systemtic Name: 2-bromanyl-5-methoxy-N-(3-methyl-6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide Openeye Name: 2-bromo-5-methoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide CAS Name: 2-bromo-5-methoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide IUPAC Name: 2-bromo-5-methoxy-N-(3-methyl-6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)benzamide Traditional Name: 2-bromo-N-(6-keto-3-methyl-5H-benzo[b][1,4]benzoxazepin-8-yl)-5-methoxy-benzamide Formula: C22H17BrN2O4 MolecularWeight: 453.28538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)OC)Br)C(=O)N2

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)OC)Br)C(=O)N2

InChI

InChI=1S/C22H17BrN2O4/c1-12-3-7-20-18(9-12)25-22(27)16-10-13(4-8-19(16)29-20)24-21(26)15-11-14(28-2)5-6-17(15)23/h3-11H,1-2H3,(H,24,26)(H,25,27)