2-(2,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid

Systemtic Name: 2-(2,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid Openeye Name: 2-(2,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid CAS Name: 2-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(2,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-(2,4-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)cinchoninic acid Formula: C23H21N3O2 MolecularWeight: 371.43174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4C(=CC(=N4)C)C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC3=CC=CC=C3C(=C2N4C(=CC(=N4)C)C)C(=O)O)C

InChI

InChI=1S/C23H21N3O2/c1-13-9-10-17(14(2)11-13)21-22(26-16(4)12-15(3)25-26)20(23(27)28)18-7-5-6-8-19(18)24-21/h5-12H,1-4H3,(H,27,28)