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

Systemtic Name: ethyl 4-[3-(4-bromanyl-2-fluoranyl-phenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate Openeye Name: ethyl 4-[3-(4-bromo-2-fluoro-phenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate CAS Name: 4-[3-(4-bromo-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-bromo-2-fluorophenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoate Traditional Name: 4-[3-(4-bromo-2-fluoro-phenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]benzoic acid ethyl ester Formula: C21H15BrFN3O2 MolecularWeight: 440.265103

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=NC3=NNC(=C3C=C2)C4=C(C=C(C=C4)Br)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=NC3=NNC(=C3C=C2)C4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H15BrFN3O2/c1-2-28-21(27)13-5-3-12(4-6-13)18-10-9-16-19(25-26-20(16)24-18)15-8-7-14(22)11-17(15)23/h3-11H,2H2,1H3,(H,24,25,26)