[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1H-pyrazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1H-pyrazole-5-carboxylate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 1H-pyrazole-5-carboxylate CAS Name: 1H-pyrazole-5-carboxylic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 1H-pyrazole-5-carboxylate Traditional Name: 1H-pyrazole-5-carboxylic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C17H21N3O3 MolecularWeight: 315.36694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=NN2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=NN2

InChI

InChI=1S/C17H21N3O3/c1-12(2)14-5-3-13(4-6-14)7-9-18-16(21)11-23-17(22)15-8-10-19-20-15/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,21)(H,19,20)