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

Systemtic Name: methyl 4-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butanoate Openeye Name: methyl 4-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butanoate CAS Name: 4-[2-[6-(4-carbamimidoylphenyl)-3-pyridazinyl]-1H-imidazol-5-yl]butanoic acid methyl ester IUPAC Name: methyl 4-[2-[6-(4-carbamimidoylphenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butanoate Traditional Name: 4-[2-[6-(4-amidinophenyl)pyridazin-3-yl]-1H-imidazol-5-yl]butyric acid methyl ester Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCC1=CN=C(N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCCC1=CN=C(N1)C2=NN=C(C=C2)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C19H20N6O2/c1-27-17(26)4-2-3-14-11-22-19(23-14)16-10-9-15(24-25-16)12-5-7-13(8-6-12)18(20)21/h5-11H,2-4H2,1H3,(H3,20,21)(H,22,23)