[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 6-(4-methylphenyl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] 6-(4-methylphenyl)-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-isopropyl-6-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(4-methylphenyl)-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 6-(4-methylphenyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C29H31N5O3 MolecularWeight: 497.58814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C=NN3C(C)C)C(=C2)C(=O)OCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C29H31N5O3/c1-20(2)34-28-25(18-30-34)24(17-26(31-28)22-11-9-21(3)10-12-22)29(36)37-19-27(35)33-15-13-32(14-16-33)23-7-5-4-6-8-23/h4-12,17-18,20H,13-16,19H2,1-3H3