4-fluoranyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide

Systemtic Name: 4-fluoranyl-N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide Openeye Name: 4-fluoro-N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzamide CAS Name: 4-fluoro-N-[7-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]benzamide IUPAC Name: 4-fluoro-N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide Traditional Name: 4-fluoro-N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzamide Formula: C22H21FN4O MolecularWeight: 376.426743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O/c1-13(2)12-27-21-18(11-16-5-4-14(3)10-19(16)24-21)20(26-27)25-22(28)15-6-8-17(23)9-7-15/h4-11,13H,12H2,1-3H3,(H,25,26,28)