5-[4-(3H-benzimidazol-5-ylcarbonyl)piperazin-1-yl]-4-bromanyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[4-(3H-benzimidazol-5-ylcarbonyl)piperazin-1-yl]-4-bromanyl-1-benzofuran-2-carboxylic acid Openeye Name: 5-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-4-bromo-benzofuran-2-carboxylic acid CAS Name: 5-[4-[3H-benzimidazol-5-yl(oxo)methyl]-1-piperazinyl]-4-bromo-2-benzofurancarboxylic acid IUPAC Name: 5-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-4-bromo-1-benzofuran-2-carboxylic acid Traditional Name: 5-[4-(3H-benzimidazole-5-carbonyl)piperazino]-4-bromo-coumarilic acid Formula: C21H17BrN4O4 MolecularWeight: 469.28808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)C(=O)C4=CC5=C(C=C4)N=CN5

Isomeric SMILES

C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Br)C(=O)C4=CC5=C(C=C4)N=CN5

InChI

InChI=1S/C21H17BrN4O4/c22-19-13-10-18(21(28)29)30-17(13)4-3-16(19)25-5-7-26(8-6-25)20(27)12-1-2-14-15(9-12)24-11-23-14/h1-4,9-11H,5-8H2,(H,23,24)(H,28,29)