N-(4-methyl-2-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(4-methyl-2-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C23H21N5O3 MolecularWeight: 415.44454

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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=C4C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=C(N(N=C4C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O3/c1-13-9-10-19(21(11-13)28(30)31)25-23(29)17-12-20(22-14(2)26-27(4)15(22)3)24-18-8-6-5-7-16(17)18/h5-12H,1-4H3,(H,25,29)