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

Systemtic Name: [2-oxidanylidene-2-[phenyl(propan-2-yl)amino]ethyl] 5-phenyl-1H-pyrazole-4-carboxylate Openeye Name: [2-(N-isopropylanilino)-2-oxo-ethyl] 5-phenyl-1H-pyrazole-4-carboxylate CAS Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-oxo-2-(N-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(N-propan-2-ylanilino)ethyl] 5-phenyl-1H-pyrazole-4-carboxylate Traditional Name: 5-phenyl-1H-pyrazole-4-carboxylic acid [2-(N-isopropylanilino)-2-keto-ethyl] ester Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=C(NN=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)N(C1=CC=CC=C1)C(=O)COC(=O)C2=C(NN=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3/c1-15(2)24(17-11-7-4-8-12-17)19(25)14-27-21(26)18-13-22-23-20(18)16-9-5-3-6-10-16/h3-13,15H,14H2,1-2H3,(H,22,23)