N-(4-bromanyl-2-fluoranyl-phenyl)-3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(4-bromo-2-fluorophenyl)-3,6-dimethyl-1-phenyl-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-3,6-dimethyl-1-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C21H16BrFN4O MolecularWeight: 439.280343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

CC1=NC2=C(C(=NN2C3=CC=CC=C3)C)C(=C1)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C21H16BrFN4O/c1-12-10-16(21(28)25-18-9-8-14(22)11-17(18)23)19-13(2)26-27(20(19)24-12)15-6-4-3-5-7-15/h3-11H,1-2H3,(H,25,28)