N-(4-fluoranyl-3-nitro-phenyl)-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(4-fluoranyl-3-nitro-phenyl)-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: N-(4-fluoro-3-nitro-phenyl)-6-methyl-1-(p-tolylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(4-fluoro-3-nitrophenyl)-6-methyl-1-[(4-methylphenyl)methyl]-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: N-(4-fluoro-3-nitrophenyl)-6-methyl-1-[(4-methylphenyl)methyl]pyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: N-(4-fluoro-3-nitro-phenyl)-6-methyl-1-(4-methylbenzyl)pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C22H18FN5O3 MolecularWeight: 419.408423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(C=N2)C(=CC(=N3)C)C(=O)NC4=CC(=C(C=C4)F)[N+](=O)[O-]

InChI

InChI=1S/C22H18FN5O3/c1-13-3-5-15(6-4-13)12-27-21-18(11-24-27)17(9-14(2)25-21)22(29)26-16-7-8-19(23)20(10-16)28(30)31/h3-11H,12H2,1-2H3,(H,26,29)