[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

Systemtic Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Openeye Name: [2-(2-methylindolin-1-yl)-2-oxo-ethyl] 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylate CAS Name: 1-propan-2-yl-5-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl] 1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate Traditional Name: 1-isopropylpyrazolo[3,4-b]pyridine-5-carboxylic acid [2-keto-2-(2-methylindolin-1-yl)ethyl] ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CN=C4C(=C3)C=NN4C(C)C

Isomeric SMILES

CC1CC2=CC=CC=C2N1C(=O)COC(=O)C3=CN=C4C(=C3)C=NN4C(C)C

InChI

InChI=1S/C21H22N4O3/c1-13(2)25-20-16(11-23-25)9-17(10-22-20)21(27)28-12-19(26)24-14(3)8-15-6-4-5-7-18(15)24/h4-7,9-11,13-14H,8,12H2,1-3H3