methyl 3-[5-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2H-1,2,3-triazol-4-yl]propanoate

Systemtic Name: methyl 3-[5-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2H-1,2,3-triazol-4-yl]propanoate Openeye Name: methyl 3-[5-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2H-triazol-4-yl]propanoate CAS Name: 3-[5-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-2H-triazol-4-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[5-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-2H-triazol-4-yl]propanoate Traditional Name: 3-[5-[6-(4-amidinophenyl)pyridazin-3-yl]-2H-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=NNN=C1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=NNN=C1C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

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