methyl 1-[[1-(4-fluorophenyl)pyrazol-3-yl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[1-(4-fluorophenyl)pyrazol-3-yl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexanecarboxylate CAS Name: 1-[[[1-(4-fluorophenyl)-3-pyrazolyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C18H20FN3O3 MolecularWeight: 345.368103

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=NN(C=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3/c1-25-17(24)18(10-3-2-4-11-18)20-16(23)15-9-12-22(21-15)14-7-5-13(19)6-8-14/h5-9,12H,2-4,10-11H2,1H3,(H,20,23)