N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(1,3-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(1,3-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(1,3-dimethylpyrazol-4-yl)cinchoninamide Formula: C29H25N5O4 MolecularWeight: 507.5399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5C)C)C

InChI

InChI=1S/C29H25N5O4/c1-17-9-18(2)11-22(10-17)38-23-13-20(12-21(14-23)34(36)37)30-29(35)25-15-28(26-16-33(4)32-19(26)3)31-27-8-6-5-7-24(25)27/h5-16H,1-4H3,(H,30,35)