2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]benzimidazole-5-carboxamide

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]benzimidazole-5-carboxamide Openeye Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]benzimidazole-5-carboxamide CAS Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-(4-nitrophenyl)-1-piperazinyl]-5-benzimidazolecarboxamide IUPAC Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-1-methyl-N-[4-(4-nitrophenyl)piperazino]benzimidazole-5-carboxamide Formula: C28H30N8O3 MolecularWeight: 526.5896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)NN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)NN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-])N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C28H30N8O3/c1-33-25-12-7-21(18-24(25)31-26(33)13-4-19-2-5-20(6-3-19)27(29)30)28(37)32-35-16-14-34(15-17-35)22-8-10-23(11-9-22)36(38)39/h2-3,5-12,18H,4,13-17H2,1H3,(H3,29,30)(H,32,37)