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

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

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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=CC(=C(C=C5)Cl)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClN5O4/c1-3-33-16-18(15-30-33)27-14-24(23-6-4-5-7-26(23)32-27)28(35)31-19-11-20(34(36)37)13-22(12-19)38-21-8-9-25(29)17(2)10-21/h4-16H,3H2,1-2H3,(H,31,35)