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

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: [2-(2-furylmethylcarbamoylamino)-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)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-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-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C25H21FN4O6 MolecularWeight: 492.455843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21FN4O6/c1-34-19-5-2-4-16(12-19)23-21(14-30(29-23)18-9-7-17(26)8-10-18)24(32)36-15-22(31)28-25(33)27-13-20-6-3-11-35-20/h2-12,14H,13,15H2,1H3,(H2,27,28,31,33)