[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C24H20FN3O5 MolecularWeight: 449.431103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H20FN3O5/c1-31-19-5-2-4-16(12-19)23-21(14-28(27-23)18-9-7-17(25)8-10-18)24(30)33-15-22(29)26-13-20-6-3-11-32-20/h2-12,14H,13,15H2,1H3,(H,26,29)