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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=NN=C(C=C1)N2C=C(N=C2)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)CCC1=NN=C(C=C1)N2C=C(N=C2)C3=CC=C(C=C3)C(=N)N

InChI

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