2-[2-(4-carbamimidoylphenyl)ethyl]-N,1-dimethyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N,1-dimethyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N,1-dimethyl-N-(3-pyridylmethyl)benzimidazole-5-carboxamide CAS Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N,1-dimethyl-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide IUPAC Name: 2-[2-(4-carbamimidoylphenyl)ethyl]-N,1-dimethyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N,1-dimethyl-N-(3-pyridylmethyl)benzimidazole-5-carboxamide Formula: C25H26N6O MolecularWeight: 426.51354

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(C)CC3=CN=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(C)CC3=CN=CC=C3)N=C1CCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C25H26N6O/c1-30(16-18-4-3-13-28-15-18)25(32)20-10-11-22-21(14-20)29-23(31(22)2)12-7-17-5-8-19(9-6-17)24(26)27/h3-6,8-11,13-15H,7,12,16H2,1-2H3,(H3,26,27)