N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-(dimethylamino)-3-nitro-benzamide

Systemtic Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolinyl)-3-pyrazolyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4,8-dimethylquinolin-2-yl)pyrazol-3-yl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4,8-dimethyl-2-quinolyl)pyrazol-3-yl]-4-(dimethylamino)-3-nitro-benzamide Formula: C24H21N7O3 MolecularWeight: 455.46864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C#N)NC(=O)C4=CC(=C(C=C4)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C24H21N7O3/c1-14-6-5-7-18-15(2)10-21(27-22(14)18)30-23(17(12-25)13-26-30)28-24(32)16-8-9-19(29(3)4)20(11-16)31(33)34/h5-11,13H,1-4H3,(H,28,32)