2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-2-nitro-phenyl)quinoline-4-carboxamide

Systemtic Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-2-nitro-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-2-nitro-phenyl)quinoline-4-carboxamide CAS Name: 2-(1,5-dimethyl-4-pyrazolyl)-N-(4-methyl-2-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-2-nitrophenyl)quinoline-4-carboxamide Traditional Name: 2-(1,5-dimethylpyrazol-4-yl)-N-(4-methyl-2-nitro-phenyl)cinchoninamide Formula: C22H19N5O3 MolecularWeight: 401.41796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O3/c1-13-8-9-19(21(10-13)27(29)30)25-22(28)16-11-20(17-12-23-26(3)14(17)2)24-18-7-5-4-6-15(16)18/h4-12H,1-3H3,(H,25,28)