6-bromanyl-3-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-3-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-3-(3,5-dimethylpyrazol-1-yl)-2-(p-tolyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-3-(3,5-dimethyl-1-pyrazolyl)-2-(4-methylphenyl)-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-3-(3,5-dimethylpyrazol-1-yl)-2-(4-methylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-3-(3,5-dimethylpyrazol-1-yl)-2-(p-tolyl)cinchoninic acid Formula: C22H18BrN3O2 MolecularWeight: 436.30122

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2/c1-12-4-6-15(7-5-12)20-21(26-14(3)10-13(2)25-26)19(22(27)28)17-11-16(23)8-9-18(17)24-20/h4-11H,1-3H3,(H,27,28)