2-[[4-(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole

Systemtic Name: 2-[[4-(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4-(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4-(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4-(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4-(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole Formula: C22H27N7 MolecularWeight: 389.49668

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1)CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CCN(CCN1)CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C22H27N7/c1-2-6-18-17(5-1)24-21(25-18)15-28-11-9-23-10-12-29(14-13-28)16-22-26-19-7-3-4-8-20(19)27-22/h1-8,23H,9-16H2,(H,24,25)(H,26,27)