(6-chloranylpyridin-3-yl)methyl 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: (6-chloro-3-pyridyl)methyl 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 1-ethyl-6-phenyl-4-pyrazolo[3,4-b]pyridinecarboxylic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl 1-ethyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 1-ethyl-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid (6-chloro-3-pyridyl)methyl ester Formula: C21H17ClN4O2 MolecularWeight: 392.83828

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC4=CN=C(C=C4)Cl

Isomeric SMILES

CCN1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC4=CN=C(C=C4)Cl

InChI

InChI=1S/C21H17ClN4O2/c1-2-26-20-17(12-24-26)16(10-18(25-20)15-6-4-3-5-7-15)21(27)28-13-14-8-9-19(22)23-11-14/h3-12H,2,13H2,1H3