N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(pyridin-2-ylamino)piperidin-1-yl]-N-(pyridin-4-ylmethyl)ethanamide

Systemtic Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(pyridin-2-ylamino)piperidin-1-yl]-N-(pyridin-4-ylmethyl)ethanamide Openeye Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-pyridylamino)-1-piperidyl]-N-(4-pyridylmethyl)acetamide CAS Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-2-[4-(2-pyridinylamino)-1-piperidinyl]-N-(pyridin-4-ylmethyl)acetamide IUPAC Name: N-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazol-5-yl]-2-[4-(pyridin-2-ylamino)piperidin-1-yl]-N-(pyridin-4-ylmethyl)acetamide Traditional Name: N-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazol-5-yl]-2-[4-(2-pyridylamino)piperidino]-N-(4-pyridylmethyl)acetamide Formula: C35H39N9O MolecularWeight: 601.74386

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)N(CC3=CC=NC=C3)C(=O)CN4CCC(CC4)NC5=CC=CC=N5)N=C1CCC6=CC=C(C=C6)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)N(CC3=CC=NC=C3)C(=O)CN4CCC(CC4)NC5=CC=CC=N5)N=C1CCC6=CC=C(C=C6)C(=N)N

InChI

InChI=1S/C35H39N9O/c1-42-31-11-10-29(22-30(31)41-33(42)12-7-25-5-8-27(9-6-25)35(36)37)44(23-26-13-18-38-19-14-26)34(45)24-43-20-15-28(16-21-43)40-32-4-2-3-17-39-32/h2-6,8-11,13-14,17-19,22,28H,7,12,15-16,20-21,23-24H2,1H3,(H3,36,37)(H,39,40)