4-[[6-(4-carbamimidoyl-2-fluoranyl-phenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[6-(4-carbamimidoyl-2-fluoranyl-phenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[6-(4-carbamimidoyl-2-fluoro-phenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-(4-carbamimidoyl-2-fluorophenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[6-(4-carbamimidoyl-2-fluorophenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-(4-amidino-2-fluoro-phenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid Formula: C20H22FN5O4 MolecularWeight: 415.418183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CC(=N1)C2=C(C=C(C=C2)C(=N)N)F)C(=O)NC3CCC(CC3)C(=O)O

Isomeric SMILES

CN1C(=O)C(=CC(=N1)C2=C(C=C(C=C2)C(=N)N)F)C(=O)NC3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H22FN5O4/c1-26-19(28)14(18(27)24-12-5-2-10(3-6-12)20(29)30)9-16(25-26)13-7-4-11(17(22)23)8-15(13)21/h4,7-10,12H,2-3,5-6H2,1H3,(H3,22,23)(H,24,27)(H,29,30)