[2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-chloranyl-3-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC(=O)N(C2=CC=CC=C2)C(C)C)Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC(=O)N(C2=CC=CC=C2)C(C)C)Cl)C3=CC=CC=C3

InChI

InChI=1S/C22H22ClN3O3/c1-15(2)25(17-10-6-4-7-11-17)19(27)14-29-22(28)20-16(3)24-26(21(20)23)18-12-8-5-9-13-18/h4-13,15H,14H2,1-3H3