N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(4-methoxyphenoxy)-5-nitrophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(4-methoxyphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)cinchoninamide Formula: C27H21N5O5 MolecularWeight: 495.48614

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=C(C=C5)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H21N5O5/c1-31-16-17(15-28-31)26-14-24(23-5-3-4-6-25(23)30-26)27(33)29-18-11-19(32(34)35)13-22(12-18)37-21-9-7-20(36-2)8-10-21/h3-16H,1-2H3,(H,29,33)