4-[bis[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]benzoic acid

Systemtic Name: 4-[bis[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxidanylidene-1H-pyrazol-4-yl]methyl]benzoic acid Openeye Name: 4-[bis[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]benzoic acid CAS Name: 4-[bis[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]benzoic acid IUPAC Name: 4-[bis[2-(1H-benzimidazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]methyl]benzoic acid Traditional Name: 4-[bis[1-(1H-benzimidazol-2-yl)-5-keto-3-methyl-3-pyrazolin-4-yl]methyl]benzoic acid Formula: C30H24N8O4 MolecularWeight: 560.56276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)C(C4=CC=C(C=C4)C(=O)O)C5=C(NN(C5=O)C6=NC7=CC=CC=C7N6)C

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=NC3=CC=CC=C3N2)C(C4=CC=C(C=C4)C(=O)O)C5=C(NN(C5=O)C6=NC7=CC=CC=C7N6)C

InChI

InChI=1S/C30H24N8O4/c1-15-23(26(39)37(35-15)29-31-19-7-3-4-8-20(19)32-29)25(17-11-13-18(14-12-17)28(41)42)24-16(2)36-38(27(24)40)30-33-21-9-5-6-10-22(21)34-30/h3-14,25,35-36H,1-2H3,(H,31,32)(H,33,34)(H,41,42)