3-(3,5-dimethylpyrazol-1-yl)-8-methyl-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-8-methyl-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-8-methyl-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-8-methyl-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-8-methyl-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-8-methyl-2-phenyl-cinchoninic acid Formula: C22H19N3O2 MolecularWeight: 357.40516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)N4C(=CC(=N4)C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C(C(=C(N=C12)C3=CC=CC=C3)N4C(=CC(=N4)C)C)C(=O)O

InChI

InChI=1S/C22H19N3O2/c1-13-8-7-11-17-18(22(26)27)21(25-15(3)12-14(2)24-25)20(23-19(13)17)16-9-5-4-6-10-16/h4-12H,1-3H3,(H,26,27)