2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)quinoline-4-carboxamide CAS Name: 2-(1,5-dimethyl-4-pyrazolyl)-N-(4-methyl-3,5-dinitrophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitrophenyl)quinoline-4-carboxamide Traditional Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-3,5-dinitro-phenyl)cinchoninamide Formula: C22H18N6O5 MolecularWeight: 446.41552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H18N6O5/c1-12-20(27(30)31)8-14(9-21(12)28(32)33)24-22(29)16-10-19(17-11-23-26(3)13(17)2)25-18-7-5-4-6-15(16)18/h4-11H,1-3H3,(H,24,29)