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

Systemtic Name: 2-(4-methylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid Openeye Name: 2-(p-tolyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid CAS Name: 2-(4-methylphenyl)-3-(1-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid Traditional Name: 2-(p-tolyl)-3-pyrazol-1-yl-cinchoninic acid Formula: C20H15N3O2 MolecularWeight: 329.352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N3O2/c1-13-7-9-14(10-8-13)18-19(23-12-4-11-21-23)17(20(24)25)15-5-2-3-6-16(15)22-18/h2-12H,1H3,(H,24,25)