1,3-benzodioxol-5-yl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(pyridin-4-ylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-phenyl-1-(4-pyridylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C26H18N4O4 MolecularWeight: 450.44552

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=NC4=C3C=NN4CC5=CC=NC=C5)C6=CC=CC=C6

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)OC(=O)C3=CC(=NC4=C3C=NN4CC5=CC=NC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H18N4O4/c31-26(34-19-6-7-23-24(12-19)33-16-32-23)20-13-22(18-4-2-1-3-5-18)29-25-21(20)14-28-30(25)15-17-8-10-27-11-9-17/h1-14H,15-16H2