N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoranyl-benzamide

Systemtic Name: N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoranyl-benzamide Openeye Name: N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoro-benzamide CAS Name: N-(1-butyl-6-methoxy-3-pyrazolo[3,4-b]quinolinyl)-4-fluorobenzamide IUPAC Name: N-(1-butyl-6-methoxypyrazolo[3,4-b]quinolin-3-yl)-4-fluorobenzamide Traditional Name: N-(1-butyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)-4-fluoro-benzamide Formula: C22H21FN4O2 MolecularWeight: 392.426143

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN4O2/c1-3-4-11-27-21-18(13-15-12-17(29-2)9-10-19(15)24-21)20(26-27)25-22(28)14-5-7-16(23)8-6-14/h5-10,12-13H,3-4,11H2,1-2H3,(H,25,26,28)