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

Systemtic Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]quinoline-4-carboxamide CAS Name: 2-(1,5-dimethyl-4-pyrazolyl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[3-(3-methylphenoxy)-5-nitrophenyl]quinoline-4-carboxamide Traditional Name: 2-(1,5-dimethylpyrazol-4-yl)-N-[3-(3-methylphenoxy)-5-nitro-phenyl]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=C(N(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=C(N(N=C5)C)C

InChI

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