2-fluoranyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide

Systemtic Name: 2-fluoranyl-N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide Openeye Name: 2-fluoro-N-(1-isobutyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)benzamide CAS Name: 2-fluoro-N-[6-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]benzamide IUPAC Name: 2-fluoro-N-[6-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide Traditional Name: 2-fluoro-N-(1-isobutyl-6-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=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4=CC=CC=C4F)CC(C)C

Isomeric SMILES

CC1=CC2=CC3=C(N=C2C=C1)N(N=C3NC(=O)C4=CC=CC=C4F)CC(C)C

InChI

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