3-[6-bromanyl-2-fluoranyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]-5-chloranyl-benzenecarbonitrile

Systemtic Name: 3-[6-bromanyl-2-fluoranyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]-5-chloranyl-benzenecarbonitrile Openeye Name: 3-[6-bromo-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]-5-chloro-benzonitrile CAS Name: 3-[6-bromo-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile IUPAC Name: 3-[6-bromo-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]-5-chlorobenzonitrile Traditional Name: 3-[6-bromo-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]-5-chloro-benzonitrile Formula: C20H11BrClFN4O MolecularWeight: 457.682943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NN=C2N=C1)CC3=C(C(=C(C=C3)Br)OC4=CC(=CC(=C4)C#N)Cl)F

Isomeric SMILES

C1=CC2=C(NN=C2N=C1)CC3=C(C(=C(C=C3)Br)OC4=CC(=CC(=C4)C#N)Cl)F

InChI

InChI=1S/C20H11BrClFN4O/c21-16-4-3-12(8-17-15-2-1-5-25-20(15)27-26-17)18(23)19(16)28-14-7-11(10-24)6-13(22)9-14/h1-7,9H,8H2,(H,25,26,27)