N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(phenylmethyl)benzimidazole-5-carboxamide

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(phenylmethyl)benzimidazole-5-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-N-benzyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-benzimidazole-5-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(phenylmethyl)-5-benzimidazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-N-benzyl-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methylbenzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(3-amino-3-imino-propyl)-N-benzyl-1-methyl-benzimidazole-5-carboxamide Formula: C28H31N7O MolecularWeight: 481.59204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N7O/c1-34-24-13-12-22(28(36)35(16-15-25(29)30)18-20-5-3-2-4-6-20)17-23(24)33-26(34)14-9-19-7-10-21(11-8-19)27(31)32/h2-8,10-13,17H,9,14-16,18H2,1H3,(H3,29,30)(H3,31,32)