(2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(3-imidazol-1-ylpropyl)benzimidazole-5-carboxamide

Systemtic Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(3-imidazol-1-ylpropyl)benzimidazole-5-carboxamide Openeye Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(3-imidazol-1-ylpropyl)benzimidazole-5-carboxamide CAS Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-[3-(1-imidazolyl)propyl]-5-benzimidazolecarboxamide IUPAC Name: (2E)-2-(1,2-dihydroindazol-3-ylidene)-N-(3-imidazol-1-ylpropyl)benzimidazole-5-carboxamide Traditional Name: (2E)-N-(3-imidazol-1-ylpropyl)-2-indazolin-3-ylidene-benzimidazole-5-carboxamide Formula: C21H19N7O MolecularWeight: 385.42186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3N=C4C=CC(=CC4=N3)C(=O)NCCCN5C=CN=C5)NN2

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\3/N=C4C=CC(=CC4=N3)C(=O)NCCCN5C=CN=C5)/NN2

InChI

InChI=1S/C21H19N7O/c29-21(23-8-3-10-28-11-9-22-13-28)14-6-7-17-18(12-14)25-20(24-17)19-15-4-1-2-5-16(15)26-27-19/h1-2,4-7,9,11-13,26-27H,3,8,10H2,(H,23,29)/b20-19+