N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-cyano-2-(4-methyl-2-quinolinyl)-3-pyrazolyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-cyano-2-(4-methylquinolin-2-yl)pyrazol-3-yl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-cyano-2-(4-methyl-2-quinolyl)pyrazol-3-yl]-4-methyl-3-nitro-benzamide Formula: C22H16N6O3 MolecularWeight: 412.40084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C(=C3)C)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=C(C=NN2C3=NC4=CC=CC=C4C(=C3)C)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3/c1-13-7-8-15(10-19(13)28(30)31)22(29)26-21-16(11-23)12-24-27(21)20-9-14(2)17-5-3-4-6-18(17)25-20/h3-10,12H,1-2H3,(H,26,29)