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

Systemtic Name: N-(1-butyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Openeye Name: N-(1-butyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide CAS Name: N-(1-butyl-6-methyl-3-pyrazolo[3,4-b]quinolinyl)-3-nitrobenzamide IUPAC Name: N-(1-butyl-6-methylpyrazolo[3,4-b]quinolin-3-yl)-3-nitrobenzamide Traditional Name: N-(1-butyl-6-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=C(C=C3C=C(C=CC3=N2)C)C(=N1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-3-4-10-26-21-18(13-16-11-14(2)8-9-19(16)23-21)20(25-26)24-22(28)15-6-5-7-17(12-15)27(29)30/h5-9,11-13H,3-4,10H2,1-2H3,(H,24,25,28)