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

Systemtic Name: 2-[[4,7-bis(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole Openeye Name: 2-[[4,7-bis(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole CAS Name: 2-[[4,7-bis(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole IUPAC Name: 2-[[4,7-bis(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole Traditional Name: 2-[[4,7-bis(1H-benzimidazol-2-ylmethyl)-1,4,7-triazonan-1-yl]methyl]-1H-benzimidazole Formula: C30H33N9 MolecularWeight: 519.64332

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(CCN1CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)CC6=NC7=CC=CC=C7N6

Isomeric SMILES

C1CN(CCN(CCN1CC2=NC3=CC=CC=C3N2)CC4=NC5=CC=CC=C5N4)CC6=NC7=CC=CC=C7N6

InChI

InChI=1S/C30H33N9/c1-2-8-23-22(7-1)31-28(32-23)19-37-13-15-38(20-29-33-24-9-3-4-10-25(24)34-29)17-18-39(16-14-37)21-30-35-26-11-5-6-12-27(26)36-30/h1-12H,13-21H2,(H,31,32)(H,33,34)(H,35,36)