6-methyl-2-(4-methylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid

Systemtic Name: 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid Openeye Name: 6-methyl-2-(p-tolyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid CAS Name: 6-methyl-2-(4-methylphenyl)-3-(1-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 6-methyl-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid Traditional Name: 6-methyl-2-(p-tolyl)-3-pyrazol-1-yl-cinchoninic acid Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)O)N4C=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)O)N4C=CC=N4

InChI

InChI=1S/C21H17N3O2/c1-13-4-7-15(8-5-13)19-20(24-11-3-10-22-24)18(21(25)26)16-12-14(2)6-9-17(16)23-19/h3-12H,1-2H3,(H,25,26)