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

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]quinoline-4-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-N-[3-nitro-5-(2,3,5-trimethylphenoxy)phenyl]cinchoninamide Formula: C30H27N5O4 MolecularWeight: 521.56648

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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=C5C)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=C5C)C)C)C

InChI

InChI=1S/C30H27N5O4/c1-17-10-18(2)19(3)29(11-17)39-23-13-21(12-22(14-23)35(37)38)31-30(36)25-15-28(26-16-34(5)33-20(26)4)32-27-9-7-6-8-24(25)27/h6-16H,1-5H3,(H,31,36)