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

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(quinolin-3-ylmethyl)benzimidazole-5-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-quinolylmethyl)benzimidazole-5-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(3-quinolinylmethyl)-5-benzimidazolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-2-[2-(4-carbamimidoylphenyl)ethyl]-1-methyl-N-(quinolin-3-ylmethyl)benzimidazole-5-carboxamide Traditional Name: 2-[2-(4-amidinophenyl)ethyl]-N-(3-amino-3-imino-propyl)-1-methyl-N-(3-quinolylmethyl)benzimidazole-5-carboxamide Formula: C31H32N8O MolecularWeight: 532.63878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=N)N)CC3=CC4=CC=CC=C4N=C3)N=C1CCC5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CN1C2=C(C=C(C=C2)C(=O)N(CCC(=N)N)CC3=CC4=CC=CC=C4N=C3)N=C1CCC5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C31H32N8O/c1-38-27-12-11-24(17-26(27)37-29(38)13-8-20-6-9-22(10-7-20)30(34)35)31(40)39(15-14-28(32)33)19-21-16-23-4-2-3-5-25(23)36-18-21/h2-7,9-12,16-18H,8,13-15,19H2,1H3,(H3,32,33)(H3,34,35)