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

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

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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(=C5)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(=C5)C)C)[N+](=O)[O-]

InChI

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