1,7-bis(1H-benzimidazol-2-yl)heptane-1,4,7-trione

Systemtic Name: 1,7-bis(1H-benzimidazol-2-yl)heptane-1,4,7-trione Openeye Name: 1,7-bis(1H-benzimidazol-2-yl)heptane-1,4,7-trione CAS Name: 1,7-bis(1H-benzimidazol-2-yl)heptane-1,4,7-trione IUPAC Name: 1,7-bis(1H-benzimidazol-2-yl)heptane-1,4,7-trione Traditional Name: 1,7-bis(1H-benzimidazol-2-yl)heptane-1,4,7-trione Formula: C21H18N4O3 MolecularWeight: 374.39262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=O)CCC(=O)CCC(=O)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C(=O)CCC(=O)CCC(=O)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H18N4O3/c26-13(9-11-18(27)20-22-14-5-1-2-6-15(14)23-20)10-12-19(28)21-24-16-7-3-4-8-17(16)25-21/h1-8H,9-12H2,(H,22,23)(H,24,25)