2-(4-ethoxy-3-iodanyl-phenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

Systemtic Name: 2-(4-ethoxy-3-iodanyl-phenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole Openeye Name: 2-(4-ethoxy-3-iodo-phenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole CAS Name: 2-(4-ethoxy-3-iodophenyl)-6-[6-(4-methyl-1-piperazinyl)-1H-benzimidazol-2-yl]-1H-benzimidazole IUPAC Name: 2-(4-ethoxy-3-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole Traditional Name: 2-(4-ethoxy-3-iodo-phenyl)-6-[6-(4-methylpiperazino)-1H-benzimidazol-2-yl]-1H-benzimidazole Formula: C27H27IN6O MolecularWeight: 578.44735

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C)I

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC3=C(N2)C=C(C=C3)C4=NC5=C(N4)C=C(C=C5)N6CCN(CC6)C)I

InChI

InChI=1S/C27H27IN6O/c1-3-35-25-9-5-17(14-20(25)28)26-29-21-7-4-18(15-23(21)31-26)27-30-22-8-6-19(16-24(22)32-27)34-12-10-33(2)11-13-34/h4-9,14-16H,3,10-13H2,1-2H3,(H,29,31)(H,30,32)