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

Systemtic Name: 3-chloranyl-5-[2-chloranyl-3-methyl-5-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzenecarbonitrile Openeye Name: 3-chloro-5-[2-chloro-3-methyl-5-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile CAS Name: 3-chloro-5-[2-chloro-3-methyl-5-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile IUPAC Name: 3-chloro-5-[2-chloro-3-methyl-5-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile Traditional Name: 3-chloro-5-[2-chloro-3-methyl-5-(2H-pyrazolo[3,4-b]pyridin-3-ylmethoxy)phenoxy]benzonitrile Formula: C21H14Cl2N4O2 MolecularWeight: 425.26746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)OC2=CC(=CC(=C2)C#N)Cl)OCC3=C4C=CC=NC4=NN3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)OC2=CC(=CC(=C2)C#N)Cl)OCC3=C4C=CC=NC4=NN3

InChI

InChI=1S/C21H14Cl2N4O2/c1-12-5-15(28-11-18-17-3-2-4-25-21(17)27-26-18)9-19(20(12)23)29-16-7-13(10-24)6-14(22)8-16/h2-9H,11H2,1H3,(H,25,26,27)