methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1,2,3-triazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1,2,3-triazol-4-yl]propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]triazol-4-yl]propanoate CAS Name: 3-[1-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-4-triazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]triazol-4-yl]propanoate Traditional Name: 3-[1-[6-(4-amidinophenyl)pyridazin-3-yl]triazol-4-yl]propionic acid methyl ester Formula: C17H17N7O2 MolecularWeight: 351.36258

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CN(N=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=CN(N=N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H17N7O2/c1-26-16(25)9-6-13-10-24(23-20-13)15-8-7-14(21-22-15)11-2-4-12(5-3-11)17(18)19/h2-5,7-8,10H,6,9H2,1H3,(H3,18,19)