[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 5-propan-2-yl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-propan-2-yl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 5-propan-2-yl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-isopropyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=N3)C(C)C

InChI

InChI=1S/C22H23N3O3/c1-4-16-8-10-17(11-9-16)19(26)14-28-22(27)18-13-24-25(21(18)15(2)3)20-7-5-6-12-23-20/h5-13,15H,4,14H2,1-3H3