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

Systemtic Name: 3-chloranyl-5-[2-fluoranyl-6-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[2-fluoro-6-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile CAS Name: 3-chloro-5-[2-fluoro-6-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[2-fluoro-6-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[2-fluoro-6-methyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile Formula: C21H14ClFN4O MolecularWeight: 392.813463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)CC2=C3C=CC=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)CC2=C3C=CC=NC3=NN2)F)OC4=CC(=CC(=C4)C#N)Cl

InChI

InChI=1S/C21H14ClFN4O/c1-12-4-5-14(9-18-17-3-2-6-25-21(17)27-26-18)19(23)20(12)28-16-8-13(11-24)7-15(22)10-16/h2-8,10H,9H2,1H3,(H,25,26,27)