5-bromanyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxidanylidene-2H-1,5-benzoxazepin-8-yl]furan-2-carboxamide Openeye Name: 5-bromo-N-(5-isobutyl-3,3-dimethyl-4-oxo-2H-1,5-benzoxazepin-8-yl)furan-2-carboxamide CAS Name: 5-bromo-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[3,3-dimethyl-5-(2-methylpropyl)-4-oxo-2H-1,5-benzoxazepin-8-yl]furan-2-carboxamide Traditional Name: 5-bromo-N-(5-isobutyl-4-keto-3,3-dimethyl-2H-1,5-benzoxazepin-8-yl)-2-furamide Formula: C20H23BrN2O4 MolecularWeight: 435.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)OCC(C1=O)(C)C

Isomeric SMILES

CC(C)CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(O3)Br)OCC(C1=O)(C)C

InChI

InChI=1S/C20H23BrN2O4/c1-12(2)10-23-14-6-5-13(22-18(24)15-7-8-17(21)27-15)9-16(14)26-11-20(3,4)19(23)25/h5-9,12H,10-11H2,1-4H3,(H,22,24)