phenacyl 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: phenacyl 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: phenacyl 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 6-(4-methoxyphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 6-(4-methoxyphenyl)-3-methyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid phenacyl ester Formula: C29H23N3O4 MolecularWeight: 477.51062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=C(C=C3)OC)C(=O)OCC(=O)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O4/c1-19-27-24(29(34)36-18-26(33)21-9-5-3-6-10-21)17-25(20-13-15-23(35-2)16-14-20)30-28(27)32(31-19)22-11-7-4-8-12-22/h3-17H,18H2,1-2H3