[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C3C(=C2)C(=NN3C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=CN=C3C(=C2)C(=NN3C)C

InChI

InChI=1S/C21H23N3O3/c1-4-5-6-15-7-9-16(10-8-15)19(25)13-27-21(26)17-11-18-14(2)23-24(3)20(18)22-12-17/h7-12H,4-6,13H2,1-3H3