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

Systemtic Name: 3-chloranyl-5-[6-ethyl-2-fluoranyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile CAS Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[6-ethyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile Formula: C22H16ClFN4O MolecularWeight: 406.840043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)CC2=C3C=CC=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

Isomeric SMILES

CCC1=C(C(=C(C=C1)CC2=C3C=CC=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

InChI

InChI=1S/C22H16ClFN4O/c1-2-14-5-6-15(10-19-18-4-3-7-26-22(18)28-27-19)20(24)21(14)29-17-9-13(12-25)8-16(23)11-17/h3-9,11H,2,10H2,1H3,(H,26,27,28)