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

Systemtic Name: 2-bromanyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-5-methoxy-benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)-2-bromo-5-methoxy-benzamide CAS Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-5-methoxybenzamide IUPAC Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-8-yl)-5-methoxybenzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-bromo-5-methoxy-benzamide Formula: C22H23BrN2O4 MolecularWeight: 459.33302

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=CC(=C2)NC(=O)C3=C(C=CC(=C3)OC)Br)N(C1=O)CC=C)C

InChI

InChI=1S/C22H23BrN2O4/c1-5-10-25-18-9-6-14(11-19(18)29-13-22(2,3)21(25)27)24-20(26)16-12-15(28-4)7-8-17(16)23/h5-9,11-12H,1,10,13H2,2-4H3,(H,24,26)