[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl] 6-phenyl-1-propan-2-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl] 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-propan-2-yl-4-pyrazolo[3,4-b]pyridinecarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-isopropyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H23N3O5/c1-16(2)29-25-20(14-27-29)19(13-21(28-25)17-6-4-3-5-7-17)26(31)34-15-22(30)18-8-9-23-24(12-18)33-11-10-32-23/h3-9,12-14,16H,10-11,15H2,1-2H3