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

Systemtic Name: methyl 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Openeye Name: methyl 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate CAS Name: 3-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propanoate Traditional Name: 3-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]propionic acid methyl ester Formula: C18H18N6O2 MolecularWeight: 350.37452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O2/c1-26-16(25)9-6-13-10-21-18(22-13)15-8-7-14(23-24-15)11-2-4-12(5-3-11)17(19)20/h2-5,7-8,10H,6,9H2,1H3,(H3,19,20)(H,21,22)