3-oxidanylidenebutan-2-yl 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-[(3-fluorophenyl)methyl]-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-[(3-fluorophenyl)methyl]-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-[(3-fluorophenyl)methyl]-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-(3-fluorobenzyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C24H20FN3O3 MolecularWeight: 417.432303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=CC(=NC2=C1C=NN2CC3=CC(=CC=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=CC(=NC2=C1C=NN2CC3=CC(=CC=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H20FN3O3/c1-15(29)16(2)31-24(30)20-12-22(18-8-4-3-5-9-18)27-23-21(20)13-26-28(23)14-17-7-6-10-19(25)11-17/h3-13,16H,14H2,1-2H3