N-[[4-(aminomethyl)phenyl]methyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-N-pyridin-3-yl-benzimidazole-5-carboxamide

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-N-pyridin-3-yl-benzimidazole-5-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-N-(3-pyridyl)benzimidazole-5-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-N-(3-pyridinyl)-5-benzimidazolecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-N-pyridin-3-ylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-[4-(aminomethyl)benzyl]-1-phenethyl-N-(3-pyridyl)benzimidazole-5-carboxamide Formula: C38H37N7O MolecularWeight: 607.74668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)N(CC4=CC=C(C=C4)CN)C5=CN=CC=C5)N=C2CCC6=CC=C(C=C6)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=C(C=C(C=C3)C(=O)N(CC4=CC=C(C=C4)CN)C5=CN=CC=C5)N=C2CCC6=CC=C(C=C6)C(=N)N

InChI

InChI=1S/C38H37N7O/c39-24-29-8-10-30(11-9-29)26-45(33-7-4-21-42-25-33)38(46)32-17-18-35-34(23-32)43-36(44(35)22-20-27-5-2-1-3-6-27)19-14-28-12-15-31(16-13-28)37(40)41/h1-13,15-18,21,23,25H,14,19-20,22,24,26,39H2,(H3,40,41)