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

Systemtic Name: N-[3-(4-chloranylphenoxy)-5-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(1,5-dimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-chlorophenoxy)-5-nitrophenyl]-2-(1,5-dimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(4-chlorophenoxy)-5-nitro-phenyl]-2-(1,5-dimethylpyrazol-4-yl)cinchoninamide Formula: C27H20ClN5O4 MolecularWeight: 513.9318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H20ClN5O4/c1-16-24(15-29-32(16)2)26-14-23(22-5-3-4-6-25(22)31-26)27(34)30-18-11-19(33(35)36)13-21(12-18)37-20-9-7-17(28)8-10-20/h3-15H,1-2H3,(H,30,34)