1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-N-pyridin-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazol-5-yl]carbonyl-N-pyridin-2-yl-piperidine-4-carboxamide Openeye Name: 1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-N-(2-pyridyl)piperidine-4-carboxamide CAS Name: 1-[[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-5-benzimidazolyl]-oxomethyl]-N-(2-pyridinyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carbonyl]-N-pyridin-2-ylpiperidine-4-carboxamide Traditional Name: 1-[2-[2-(4-amidinophenyl)ethyl]-1-methyl-benzimidazole-5-carbonyl]-N-(2-pyridyl)isonipecotamide Formula: C29H31N7O2 MolecularWeight: 509.60214

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N3CCC(CC3)C(=O)NC4=CC=CC=N4)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C29H31N7O2/c1-35-24-11-10-22(18-23(24)33-26(35)12-7-19-5-8-20(9-6-19)27(30)31)29(38)36-16-13-21(14-17-36)28(37)34-25-4-2-3-15-32-25/h2-6,8-11,15,18,21H,7,12-14,16-17H2,1H3,(H3,30,31)(H,32,34,37)