N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzamide

Systemtic Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzamide Openeye Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzamide CAS Name: N-(1-butyl-3-pyrazolo[3,4-b]quinolinyl)-4-nitrobenzamide IUPAC Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-4-nitrobenzamide Traditional Name: N-(1-butylpyrazolo[3,4-b]quinolin-3-yl)-4-nitro-benzamide Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C2=NC3=CC=CC=C3C=C2C(=N1)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O3/c1-2-3-12-25-20-17(13-15-6-4-5-7-18(15)22-20)19(24-25)23-21(27)14-8-10-16(11-9-14)26(28)29/h4-11,13H,2-3,12H2,1H3,(H,23,24,27)