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

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-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-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)N(C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)OCC(=O)N(C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C22H23N3O3/c1-16(2)24(18-10-6-4-7-11-18)21(26)15-28-22(27)20-14-23-25(17(20)3)19-12-8-5-9-13-19/h4-14,16H,15H2,1-3H3