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

Systemtic Name: N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-[3-(2-methoxyphenoxy)-5-nitro-phenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(1-methyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-[3-(2-methoxyphenoxy)-5-nitrophenyl]-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-[3-(2-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=CC=C5OC)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=N1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC=CC=C5OC)[N+](=O)[O-]

InChI

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