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

Systemtic Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(3,5-dimethylphenoxy)-5-nitrophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(3,5-dimethylphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C28H23N5O4 MolecularWeight: 493.51332

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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=C5)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=C5)C)C

InChI

InChI=1S/C28H23N5O4/c1-17-8-18(2)10-22(9-17)37-23-12-20(11-21(13-23)33(35)36)30-28(34)25-14-27(19-15-29-32(3)16-19)31-26-7-5-4-6-24(25)26/h4-16H,1-3H3,(H,30,34)