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

Systemtic Name: 5-bromanyl-2-chloranyl-N-(3,5-dimethyl-6-oxidanylidene-benzo[b][1,4]benzoxazepin-8-yl)benzamide Openeye Name: 5-bromo-2-chloro-N-(3,5-dimethyl-6-oxo-benzo[b][1,4]benzoxazepin-8-yl)benzamide CAS Name: 5-bromo-2-chloro-N-(3,5-dimethyl-6-oxo-8-benzo[b][1,4]benzoxazepinyl)benzamide IUPAC Name: 5-bromo-2-chloro-N-(3,5-dimethyl-6-oxobenzo[b][1,4]benzoxazepin-8-yl)benzamide Traditional Name: 5-bromo-2-chloro-N-(6-keto-3,5-dimethyl-benzo[b][1,4]benzoxazepin-8-yl)benzamide Formula: C22H16BrClN2O3 MolecularWeight: 471.73104

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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)Br)Cl)C(=O)N2C

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C=C(C=C3)NC(=O)C4=C(C=CC(=C4)Br)Cl)C(=O)N2C

InChI

InChI=1S/C22H16BrClN2O3/c1-12-3-7-20-18(9-12)26(2)22(28)16-11-14(5-8-19(16)29-20)25-21(27)15-10-13(23)4-6-17(15)24/h3-11H,1-2H3,(H,25,27)