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

Systemtic Name: N-[3-(4-chloranyl-3-methyl-phenoxy)-5-nitro-phenyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(1-ethyl-5-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-chloro-3-methylphenoxy)-5-nitrophenyl]-2-(1-ethyl-5-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(4-chloro-3-methyl-phenoxy)-5-nitro-phenyl]-2-(1-ethyl-5-methyl-pyrazol-4-yl)cinchoninamide Formula: C29H24ClN5O4 MolecularWeight: 541.98496

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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-])C

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-])C

InChI

InChI=1S/C29H24ClN5O4/c1-4-34-18(3)25(16-31-34)28-15-24(23-7-5-6-8-27(23)33-28)29(36)32-19-12-20(35(37)38)14-22(13-19)39-21-9-10-26(30)17(2)11-21/h5-16H,4H2,1-3H3,(H,32,36)