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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=C(C=CC(=C5)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=C(C=CC(=C5)C)C)[N+](=O)[O-]

InChI

InChI=1S/C29H25N5O4/c1-4-33-17-20(16-30-33)27-15-25(24-7-5-6-8-26(24)32-27)29(35)31-21-12-22(34(36)37)14-23(13-21)38-28-11-18(2)9-10-19(28)3/h5-17H,4H2,1-3H3,(H,31,35)