(2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate

Systemtic Name: (2-morpholin-4-yl-2-oxidanylidene-ethyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Openeye Name: (2-morpholino-2-oxo-ethyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-4-pyrazolecarboxylic acid [2-(4-morpholinyl)-2-oxoethyl] ester IUPAC Name: (2-morpholin-4-yl-2-oxoethyl) 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid (2-keto-2-morpholino-ethyl) ester Formula: C23H22FN3O5 MolecularWeight: 439.436283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCOCC3)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C(=O)OCC(=O)N3CCOCC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H22FN3O5/c1-30-19-4-2-3-16(13-19)22-20(14-27(25-22)18-7-5-17(24)6-8-18)23(29)32-15-21(28)26-9-11-31-12-10-26/h2-8,13-14H,9-12,15H2,1H3