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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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