ethanoic acid; ethyl 1-(4-chlorophenyl)-3-methyl-6-pyridin-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: ethanoic acid; ethyl 1-(4-chlorophenyl)-3-methyl-6-pyridin-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: acetic acid; ethyl 1-(4-chlorophenyl)-3-methyl-6-(3-pyridyl)pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: acetic acid; 1-(4-chlorophenyl)-3-methyl-6-(3-pyridinyl)-4-pyrazolo[3,4-b]pyridinecarboxylic acid ethyl ester IUPAC Name: acetic acid; ethyl 1-(4-chlorophenyl)-3-methyl-6-pyridin-3-ylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: acetic acid; 1-(4-chlorophenyl)-3-methyl-6-(3-pyridyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid ethyl ester Formula: C23H21ClN4O4 MolecularWeight: 452.89024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=C(C=C3)Cl)C)C4=CN=CC=C4.CC(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(=NC2=C1C(=NN2C3=CC=C(C=C3)Cl)C)C4=CN=CC=C4.CC(=O)O

InChI

InChI=1S/C21H17ClN4O2.C2H4O2/c1-3-28-21(27)17-11-18(14-5-4-10-23-12-14)24-20-19(17)13(2)25-26(20)16-8-6-15(22)7-9-16;1-2(3)4/h4-12H,3H2,1-2H3;1H3,(H,3,4)