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

Systemtic Name: 2-(1,3-dimethylpyrazol-4-yl)-N-(3-methoxy-5-nitro-phenyl)quinoline-4-carboxamide Openeye Name: 2-(1,3-dimethylpyrazol-4-yl)-N-(3-methoxy-5-nitro-phenyl)quinoline-4-carboxamide CAS Name: 2-(1,3-dimethyl-4-pyrazolyl)-N-(3-methoxy-5-nitrophenyl)-4-quinolinecarboxamide IUPAC Name: 2-(1,3-dimethylpyrazol-4-yl)-N-(3-methoxy-5-nitrophenyl)quinoline-4-carboxamide Traditional Name: 2-(1,3-dimethylpyrazol-4-yl)-N-(3-methoxy-5-nitro-phenyl)cinchoninamide Formula: C22H19N5O4 MolecularWeight: 417.41736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=CC(=CC(=C4)OC)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N5O4/c1-13-19(12-26(2)25-13)21-11-18(17-6-4-5-7-20(17)24-21)22(28)23-14-8-15(27(29)30)10-16(9-14)31-3/h4-12H,1-3H3,(H,23,28)