ethyl 4-[3-(4-cyanophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate

Systemtic Name: ethyl 4-[3-(4-cyanophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate Openeye Name: ethyl 4-[3-(4-cyanophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate CAS Name: 4-[3-(4-cyanophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-cyanophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate Traditional Name: 4-[3-(4-cyanophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid ethyl ester Formula: C22H16N4O2 MolecularWeight: 368.38804

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC3=NNC(=C3C=C2)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC3=NNC(=C3C=C2)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H16N4O2/c1-2-28-22(27)17-9-7-15(8-10-17)19-12-11-18-20(25-26-21(18)24-19)16-5-3-14(13-23)4-6-16/h3-12H,2H2,1H3,(H,24,25,26)