3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1,2,3-triazol-4-yl]propanoic acid

Systemtic Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1,2,3-triazol-4-yl]propanoic acid Openeye Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]triazol-4-yl]propanoic acid CAS Name: 3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-triazolyl]propanoic acid IUPAC Name: 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]triazol-4-yl]propanoic acid Traditional Name: 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]triazol-4-yl]propionic acid Formula: C16H15N7O2 MolecularWeight: 337.336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(C=C2)N3N=CC(=N3)CCC(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(C=C2)N3N=CC(=N3)CCC(=O)O)C(=N)N

InChI

InChI=1S/C16H15N7O2/c17-16(18)11-3-1-10(2-4-11)13-6-7-14(21-20-13)23-19-9-12(22-23)5-8-15(24)25/h1-4,6-7,9H,5,8H2,(H3,17,18)(H,24,25)