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

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(1,5-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)cinchoninamide Formula: C28H22ClN5O4 MolecularWeight: 527.95838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN5O4/c1-16-10-20(8-9-25(16)29)38-21-12-18(11-19(13-21)34(36)37)31-28(35)23-14-27(24-15-30-33(3)17(24)2)32-26-7-5-4-6-22(23)26/h4-15H,1-3H3,(H,31,35)