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

Systemtic Name: 3-chloranyl-5-[6-cyclopropyl-2-fluoranyl-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile CAS Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[6-cyclopropyl-2-fluoro-3-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)phenoxy]benzonitrile Formula: C23H16ClFN4O MolecularWeight: 418.850743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C(=C(C=C2)CC3=C4C=CC=NC4=NN3)F)OC5=CC(=CC(=C5)C#N)Cl

Isomeric SMILES

C1CC1C2=C(C(=C(C=C2)CC3=C4C=CC=NC4=NN3)F)OC5=CC(=CC(=C5)C#N)Cl

InChI

InChI=1S/C23H16ClFN4O/c24-16-8-13(12-26)9-17(11-16)30-22-18(14-3-4-14)6-5-15(21(22)25)10-20-19-2-1-7-27-23(19)29-28-20/h1-2,5-9,11,14H,3-4,10H2,(H,27,28,29)