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

Systemtic Name: 3-(3,5-dimethylpyrazol-1-yl)-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-(3,5-dimethylpyrazol-1-yl)-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-(3,5-dimethyl-1-pyrazolyl)-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-(3,5-dimethylpyrazol-1-yl)-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-(3,5-dimethylpyrazol-1-yl)-2-phenyl-cinchoninic acid Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C

Isomeric SMILES

CC1=CC(=NN1C2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C

InChI

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