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

Systemtic Name: N-[[4-(aminomethyl)phenyl]methyl]-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-benzimidazole-5-carboxamide Openeye Name: N-[[4-(aminomethyl)phenyl]methyl]-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-benzimidazole-5-carboxamide CAS Name: N-[[4-(aminomethyl)phenyl]methyl]-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethyl-5-benzimidazolecarboxamide IUPAC Name: N-[[4-(aminomethyl)phenyl]methyl]-N-butyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-phenethylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-[4-(aminomethyl)benzyl]-N-butyl-1-phenethyl-benzimidazole-5-carboxamide Formula: C37H42N6O MolecularWeight: 586.76898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)CN)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)CCC5=CC=CC=C5

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)CN)C(=O)C2=CC3=C(C=C2)N(C(=N3)CCC4=CC=C(C=C4)C(=N)N)CCC5=CC=CC=C5

InChI

InChI=1S/C37H42N6O/c1-2-3-22-42(26-30-11-9-29(25-38)10-12-30)37(44)32-18-19-34-33(24-32)41-35(43(34)23-21-27-7-5-4-6-8-27)20-15-28-13-16-31(17-14-28)36(39)40/h4-14,16-19,24H,2-3,15,20-23,25-26,38H2,1H3,(H3,39,40)