[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-propan-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 1-(4-fluorophenyl)-5-propan-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 1-(4-fluorophenyl)-5-isopropyl-pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-5-propan-2-yl-4-pyrazolecarboxylic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-5-isopropyl-pyrazole-4-carboxylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C25H27FN4O4 MolecularWeight: 466.504683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

Isomeric SMILES

CC(C)C1=C(C=NN1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=CC=C(C=C3)N4CCOCC4

InChI

InChI=1S/C25H27FN4O4/c1-17(2)24-22(15-27-30(24)21-7-3-18(26)4-8-21)25(32)34-16-23(31)28-19-5-9-20(10-6-19)29-11-13-33-14-12-29/h3-10,15,17H,11-14,16H2,1-2H3,(H,28,31)