N-(1-butyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-chloranyl-benzamide

Systemtic Name: N-(1-butyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-chloranyl-benzamide Openeye Name: N-(1-butyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-chloro-benzamide CAS Name: N-(1-butyl-7-methyl-3-pyrazolo[3,4-b]quinolinyl)-3-chlorobenzamide IUPAC Name: N-(1-butyl-7-methylpyrazolo[3,4-b]quinolin-3-yl)-3-chlorobenzamide Traditional Name: N-(1-butyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-chloro-benzamide Formula: C22H21ClN4O MolecularWeight: 392.88134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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