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

Systemtic Name: phenyl 6-phenyl-1-(pyridin-4-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: phenyl 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 phenyl ester IUPAC Name: phenyl 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 phenyl ester Formula: C25H18N4O2 MolecularWeight: 406.43602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=NC=C4)C(=C2)C(=O)OC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NC3=C(C=NN3CC4=CC=NC=C4)C(=C2)C(=O)OC5=CC=CC=C5

InChI

InChI=1S/C25H18N4O2/c30-25(31-20-9-5-2-6-10-20)21-15-23(19-7-3-1-4-8-19)28-24-22(21)16-27-29(24)17-18-11-13-26-14-12-18/h1-16H,17H2