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

Systemtic Name: 3-oxidanylidenebutan-2-yl 6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 1-benzyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-benzyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C24H21N3O3 MolecularWeight: 399.44184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H21N3O3/c1-16(28)17(2)30-24(29)20-13-22(19-11-7-4-8-12-19)26-23-21(20)14-25-27(23)15-18-9-5-3-6-10-18/h3-14,17H,15H2,1-2H3