[2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxidanylidene-ethyl] 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxo-ethyl] 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2,6-dimethyl-4-morpholinyl)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid [2-(2,6-dimethylmorpholino)-2-keto-ethyl] ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1CN(CC(O1)C)C(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-17-9-11-20(12-10-17)24-22(15-28(26-24)21-7-5-4-6-8-21)25(30)31-16-23(29)27-13-18(2)32-19(3)14-27/h4-12,15,18-19H,13-14,16H2,1-3H3