N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-chloranyl-benzamide

Systemtic Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-chloranyl-benzamide Openeye Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-chloro-benzamide CAS Name: N-(1-butyl-8-methyl-3-pyrazolo[3,4-b]quinolinyl)-2-chlorobenzamide IUPAC Name: N-(1-butyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)-2-chlorobenzamide Traditional Name: N-(1-butyl-8-methyl-pyrazolo[3,4-b]quinolin-3-yl)-2-chloro-benzamide Formula: C22H21ClN4O MolecularWeight: 392.88134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

CCCCN1C2=C(C=C3C=CC=C(C3=N2)C)C(=N1)NC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H21ClN4O/c1-3-4-12-27-21-17(13-15-9-7-8-14(2)19(15)24-21)20(26-27)25-22(28)16-10-5-6-11-18(16)23/h5-11,13H,3-4,12H2,1-2H3,(H,25,26,28)