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

Systemtic Name: methyl 4-[[6-(4-carbamimidoyl-2-fluoranyl-phenyl)-2-methyl-3-oxidanylidene-pyridazin-4-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 4-[[6-(4-carbamimidoyl-2-fluoro-phenyl)-2-methyl-3-oxo-pyridazine-4-carbonyl]amino]cyclohexanecarboxylate CAS Name: 4-[[[6-(4-carbamimidoyl-2-fluorophenyl)-2-methyl-3-oxo-4-pyridazinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 4-[[6-(4-carbamimidoyl-2-fluorophenyl)-2-methyl-3-oxopyridazine-4-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 4-[[6-(4-amidino-2-fluoro-phenyl)-3-keto-2-methyl-pyridazine-4-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C21H24FN5O4 MolecularWeight: 429.444763

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24FN5O4/c1-27-20(29)15(19(28)25-13-6-3-11(4-7-13)21(30)31-2)10-17(26-27)14-8-5-12(18(23)24)9-16(14)22/h5,8-11,13H,3-4,6-7H2,1-2H3,(H3,23,24)(H,25,28)