N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-3-nitro-benzamide

Systemtic Name: N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-3-nitro-benzamide Openeye Name: N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide CAS Name: N-[7-methyl-1-(2-methylpropyl)-3-pyrazolo[3,4-b]quinolinyl]-3-nitrobenzamide IUPAC Name: N-[7-methyl-1-(2-methylpropyl)pyrazolo[3,4-b]quinolin-3-yl]-3-nitrobenzamide Traditional Name: N-(1-isobutyl-7-methyl-pyrazolo[3,4-b]quinolin-3-yl)-3-nitro-benzamide Formula: C22H21N5O3 MolecularWeight: 403.43384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=NC3=C(C=C2C=C1)C(=NN3CC(C)C)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O3/c1-13(2)12-26-21-18(11-15-8-7-14(3)9-19(15)23-21)20(25-26)24-22(28)16-5-4-6-17(10-16)27(29)30/h4-11,13H,12H2,1-3H3,(H,24,25,28)