(5-bromanylquinolin-8-yl) (4E)-4-(2,2-diphenylethanoylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-4-(2,2-diphenylethanoylhydrazinylidene)-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-4-[(2,2-diphenylacetyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(1-oxo-2,2-diphenylethyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-4-[(2,2-diphenylacetyl)hydrazinylidene]-3-methyl-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-4-[(2,2-diphenylacetyl)hydrazono]-3-methyl-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C33H26BrN3O4 MolecularWeight: 608.48124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)CCC2)C(=O)OC5=C6C(=C(C=C5)Br)C=CC=N6

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4)/CCC2)C(=O)OC5=C6C(=C(C=C5)Br)C=CC=N6

InChI

InChI=1S/C33H26BrN3O4/c1-20-28-25(36-37-32(38)29(21-10-4-2-5-11-21)22-12-6-3-7-13-22)15-8-16-26(28)40-31(20)33(39)41-27-18-17-24(34)23-14-9-19-35-30(23)27/h2-7,9-14,17-19,29H,8,15-16H2,1H3,(H,37,38)/b36-25+