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

Systemtic Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide CAS Name: 2-(1-ethyl-3-methyl-4-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1-ethyl-3-methylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1-ethyl-3-methyl-pyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]cinchoninamide Formula: C31H29N5O4 MolecularWeight: 535.59306

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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=CC(=CC(=C5C)C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC5=CC(=CC(=C5C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C31H29N5O4/c1-6-35-17-27(21(5)34-35)29-16-26(25-9-7-8-10-28(25)33-29)31(37)32-22-13-23(36(38)39)15-24(14-22)40-30-12-18(2)11-19(3)20(30)4/h7-17H,6H2,1-5H3,(H,32,37)