3-chloranyl-5-[4-fluoranyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzenecarbonitrile

Systemtic Name: 3-chloranyl-5-[4-fluoranyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[4-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile CAS Name: 3-chloro-5-[4-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[4-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[4-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile Formula: C20H12ClFN4O2 MolecularWeight: 394.786283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NN=C2N=C1)COC3=C(C=CC(=C3)OC4=CC(=CC(=C4)C#N)Cl)F

Isomeric SMILES

C1=CC2=C(NN=C2N=C1)COC3=C(C=CC(=C3)OC4=CC(=CC(=C4)C#N)Cl)F

InChI

InChI=1S/C20H12ClFN4O2/c21-13-6-12(10-23)7-15(8-13)28-14-3-4-17(22)19(9-14)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)