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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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