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

Systemtic Name: 6-bromanyl-2-(4-methylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(p-tolyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid CAS Name: 6-bromo-2-(4-methylphenyl)-3-(1-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-methylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid Traditional Name: 6-bromo-2-(p-tolyl)-3-pyrazol-1-yl-cinchoninic acid Formula: C20H14BrN3O2 MolecularWeight: 408.24806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O2/c1-12-3-5-13(6-4-12)18-19(24-10-2-9-22-24)17(20(25)26)15-11-14(21)7-8-16(15)23-18/h2-11H,1H3,(H,25,26)