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

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-pyridylmethyl)benzimidazole-5-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-pyridinylmethyl)-5-benzimidazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(pyridin-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(3-amino-3-imino-propyl)-1-methyl-N-(3-pyridylmethyl)benzimidazole-5-carboxamide Formula: C27H30N8O MolecularWeight: 482.5801

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H30N8O/c1-34-23-10-9-21(27(36)35(14-12-24(28)29)17-19-3-2-13-32-16-19)15-22(23)33-25(34)11-6-18-4-7-20(8-5-18)26(30)31/h2-5,7-10,13,15-16H,6,11-12,14,17H2,1H3,(H3,28,29)(H3,30,31)