5-bromanyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxidanylidene-2H-1,5-benzoxazepin-7-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-(5-isopentyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-7-yl)furan-2-carboxamide CAS Name: 5-bromo-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[3,3-dimethyl-5-(3-methylbutyl)-4-oxo-2H-1,5-benzoxazepin-7-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-(5-isoamyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-7-yl)-2-furamide Formula: C21H25BrN2O4 MolecularWeight: 449.3382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(O3)Br)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=CC(=C2)NC(=O)C3=CC=C(O3)Br)OCC(C1=O)(C)C

InChI

InChI=1S/C21H25BrN2O4/c1-13(2)9-10-24-15-11-14(23-19(25)17-7-8-18(22)28-17)5-6-16(15)27-12-21(3,4)20(24)26/h5-8,11,13H,9-10,12H2,1-4H3,(H,23,25)