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

Systemtic Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide CAS Name: 2-(1-methyl-4-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-methylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]cinchoninamide Formula: C29H25N5O4 MolecularWeight: 507.5399

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5)C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CN(N=C5)C)C)C

InChI

InChI=1S/C29H25N5O4/c1-17-9-18(2)19(3)28(10-17)38-23-12-21(11-22(13-23)34(36)37)31-29(35)25-14-27(20-15-30-33(4)16-20)32-26-8-6-5-7-24(25)26/h5-16H,1-4H3,(H,31,35)