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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H27N5O4/c1-5-34-17-21(16-31-34)28-15-26(25-8-6-7-9-27(25)33-28)30(36)32-22-12-23(35(37)38)14-24(13-22)39-29-11-18(2)10-19(3)20(29)4/h6-17H,5H2,1-4H3,(H,32,36)