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

Systemtic Name: 2-(3,4-dimethylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid Openeye Name: 2-(3,4-dimethylphenyl)-3-pyrazol-1-yl-quinoline-4-carboxylic acid CAS Name: 2-(3,4-dimethylphenyl)-3-(1-pyrazolyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(3,4-dimethylphenyl)-3-pyrazol-1-ylquinoline-4-carboxylic acid Traditional Name: 2-(3,4-dimethylphenyl)-3-pyrazol-1-yl-cinchoninic acid Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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