1,3-benzodioxol-5-yl 6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 6-methyl-1-(p-tolylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolo[3,4-b]pyridinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-methyl-1-(4-methylbenzyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H19N3O4/c1-14-3-5-16(6-4-14)12-26-22-19(11-24-26)18(9-15(2)25-22)23(27)30-17-7-8-20-21(10-17)29-13-28-20/h3-11H,12-13H2,1-2H3