3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxylate

Systemtic Name: 3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxylate Openeye Name: 3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxylate CAS Name: 3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]-4-pyrazolo[3,4-b]pyridinecarboxylate IUPAC Name: 3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxylate Traditional Name: 3-methyl-6-phenyl-1-[2-(trifluoromethyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxylate Formula: C21H13F3N3O2- MolecularWeight: 396.34203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)[O-])C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C21H14F3N3O2/c1-12-18-14(20(28)29)11-16(13-7-3-2-4-8-13)25-19(18)27(26-12)17-10-6-5-9-15(17)21(22,23)24/h2-11H,1H3,(H,28,29)/p-1