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

Systemtic Name: 2-bromanyl-N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide Openeye Name: 2-bromo-N-(1-isobutyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)benzamide CAS Name: 2-bromo-N-[6-methoxy-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]benzamide IUPAC Name: 2-bromo-N-[6-methoxy-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]benzamide Traditional Name: 2-bromo-N-(1-isobutyl-6-methoxy-pyrazolo[3,4-b]quinolin-3-yl)benzamide Formula: C22H21BrN4O2 MolecularWeight: 453.33174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C4=CC=CC=C4Br

Isomeric SMILES

CC(C)CN1C2=C(C=C3C=C(C=CC3=N2)OC)C(=N1)NC(=O)C4=CC=CC=C4Br

InChI

InChI=1S/C22H21BrN4O2/c1-13(2)12-27-21-17(11-14-10-15(29-3)8-9-19(14)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)