[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-methoxyphenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CN(N=C1C2=CC=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-15(2)23-20(26)14-29-22(27)19-13-25(17-7-5-4-6-8-17)24-21(19)16-9-11-18(28-3)12-10-16/h4-13,15H,14H2,1-3H3,(H,23,26)