methyl 3,3-bis(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1,2-dihydroindazole-5-carboxylate

Systemtic Name: methyl 3,3-bis(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1,2-dihydroindazole-5-carboxylate Openeye Name: methyl 3,3-bis(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1,2-dihydroindazole-5-carboxylate CAS Name: 3,3-bis[6-(1-imidazolyl)-1H-benzimidazol-2-yl]-1,2-dihydroindazole-5-carboxylic acid methyl ester IUPAC Name: methyl 3,3-bis(6-imidazol-1-yl-1H-benzimidazol-2-yl)-1,2-dihydroindazole-5-carboxylate Traditional Name: 3,3-bis(6-imidazol-1-yl-1H-benzimidazol-2-yl)indazoline-5-carboxylic acid methyl ester Formula: C29H22N10O2 MolecularWeight: 542.55078

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)NNC2(C3=NC4=C(N3)C=C(C=C4)N5C=CN=C5)C6=NC7=C(N6)C=C(C=C7)N8C=CN=C8

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)NNC2(C3=NC4=C(N3)C=C(C=C4)N5C=CN=C5)C6=NC7=C(N6)C=C(C=C7)N8C=CN=C8

InChI

InChI=1S/C29H22N10O2/c1-41-26(40)17-2-5-21-20(12-17)29(37-36-21,27-32-22-6-3-18(13-24(22)34-27)38-10-8-30-15-38)28-33-23-7-4-19(14-25(23)35-28)39-11-9-31-16-39/h2-16,36-37H,1H3,(H,32,34)(H,33,35)