N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-(dimethylamino)-3-nitro-benzamide

Systemtic Name: N-(4-cyano-2-quinolin-2-yl-pyrazol-3-yl)-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[4-cyano-2-(2-quinolinyl)-3-pyrazolyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-(4-cyano-2-quinolin-2-ylpyrazol-3-yl)-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(2-quinolyl)pyrazol-3-yl]-4-(dimethylamino)-3-nitro-benzamide Formula: C22H17N7O3 MolecularWeight: 427.41548

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C=C3)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H17N7O3/c1-27(2)18-9-7-15(11-19(18)29(31)32)22(30)26-21-16(12-23)13-24-28(21)20-10-8-14-5-3-4-6-17(14)25-20/h3-11,13H,1-2H3,(H,26,30)