methyl 3-[1-[6-(4-carbamimidoyl-2-fluoranyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoate

Systemtic Name: methyl 3-[1-[6-(4-carbamimidoyl-2-fluoranyl-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoate Openeye Name: methyl 3-[1-[6-(4-carbamimidoyl-2-fluoro-phenyl)pyridazin-3-yl]imidazol-4-yl]propanoate CAS Name: 3-[1-[6-(4-carbamimidoyl-2-fluorophenyl)-3-pyridazinyl]-4-imidazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[1-[6-(4-carbamimidoyl-2-fluorophenyl)pyridazin-3-yl]imidazol-4-yl]propanoate Traditional Name: 3-[1-[6-(4-amidino-2-fluoro-phenyl)pyridazin-3-yl]imidazol-4-yl]propionic acid methyl ester Formula: C18H17FN6O2 MolecularWeight: 368.364983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17FN6O2/c1-27-17(26)7-3-12-9-25(10-22-12)16-6-5-15(23-24-16)13-4-2-11(18(20)21)8-14(13)19/h2,4-6,8-10H,3,7H2,1H3,(H3,20,21)