3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]benzoic acid

Systemtic Name: 3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]benzoic acid Openeye Name: 3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methyl-amino]benzoic acid CAS Name: 3-[[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-methylamino]benzoic acid IUPAC Name: 3-[[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-methylamino]benzoic acid Traditional Name: 3-[[6-(4-amidinophenyl)pyridazin-3-yl]-methyl-amino]benzoic acid Formula: C19H17N5O2 MolecularWeight: 347.37058

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NN=C(C=C1)C2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN(C1=NN=C(C=C1)C2=CC=C(C=C2)C(=N)N)C3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C19H17N5O2/c1-24(15-4-2-3-14(11-15)19(25)26)17-10-9-16(22-23-17)12-5-7-13(8-6-12)18(20)21/h2-11H,1H3,(H3,20,21)(H,25,26)