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

Systemtic Name: (5-bromanylquinolin-8-yl) (4E)-3-methyl-4-(2-phenylethanoylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carboxylate Openeye Name: (5-bromo-8-quinolyl) (4E)-3-methyl-4-[(2-phenylacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylate CAS Name: (4E)-3-methyl-4-[(1-oxo-2-phenylethyl)hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolinyl) ester IUPAC Name: (5-bromoquinolin-8-yl) (4E)-3-methyl-4-[(2-phenylacetyl)hydrazinylidene]-6,7-dihydro-5H-1-benzofuran-2-carboxylate Traditional Name: (4E)-3-methyl-4-[(2-phenylacetyl)hydrazono]-6,7-dihydro-5H-benzofuran-2-carboxylic acid (5-bromo-8-quinolyl) ester Formula: C27H22BrN3O4 MolecularWeight: 532.38528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)CC3=CC=CC=C3)CCC2)C(=O)OC4=C5C(=C(C=C4)Br)C=CC=N5

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)CC3=CC=CC=C3)/CCC2)C(=O)OC4=C5C(=C(C=C4)Br)C=CC=N5

InChI

InChI=1S/C27H22BrN3O4/c1-16-24-20(30-31-23(32)15-17-7-3-2-4-8-17)10-5-11-21(24)34-26(16)27(33)35-22-13-12-19(28)18-9-6-14-29-25(18)22/h2-4,6-9,12-14H,5,10-11,15H2,1H3,(H,31,32)/b30-20+