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

Systemtic Name: 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-(3,5-dimethyl-1-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)quinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)cinchoninic acid Formula: C21H16ClN3O2 MolecularWeight: 377.82364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C3=CC=CC=C3N=C2C4=CC=C(C=C4)Cl)C(=O)O)C

InChI

InChI=1S/C21H16ClN3O2/c1-12-11-13(2)25(24-12)20-18(21(26)27)16-5-3-4-6-17(16)23-19(20)14-7-9-15(22)10-8-14/h3-11H,1-2H3,(H,26,27)