2-bromanyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)benzamide

Systemtic Name: 2-bromanyl-N-(3,3-dimethyl-4-oxidanylidene-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)benzamide Openeye Name: N-(5-allyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)-2-bromo-benzamide CAS Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)benzamide IUPAC Name: 2-bromo-N-(3,3-dimethyl-4-oxo-5-prop-2-enyl-2H-1,5-benzoxazepin-7-yl)benzamide Traditional Name: N-(5-allyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-bromo-benzamide Formula: C21H21BrN2O3 MolecularWeight: 429.30704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Br)N(C1=O)CC=C)C

Isomeric SMILES

CC1(COC2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Br)N(C1=O)CC=C)C

InChI

InChI=1S/C21H21BrN2O3/c1-4-11-24-17-12-14(23-19(25)15-7-5-6-8-16(15)22)9-10-18(17)27-13-21(2,3)20(24)26/h4-10,12H,1,11,13H2,2-3H3,(H,23,25)