(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1,3-dimethyl-5-pyrazolo[3,4-b]pyridinecarboxylic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C21H18N6O2 MolecularWeight: 386.40662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)OCC3=C(C(=NN3C4=CC=CC=C4)C)C#N)C

InChI

InChI=1S/C21H18N6O2/c1-13-17-9-15(11-23-20(17)26(3)24-13)21(28)29-12-19-18(10-22)14(2)25-27(19)16-7-5-4-6-8-16/h4-9,11H,12H2,1-3H3