5-tert-butyl-1-quinolin-2-yl-pyrazole-3-carboxylic acid

Systemtic Name: 5-tert-butyl-1-quinolin-2-yl-pyrazole-3-carboxylic acid Openeye Name: 5-tert-butyl-1-(2-quinolyl)pyrazole-3-carboxylic acid CAS Name: 5-tert-butyl-1-(2-quinolinyl)-3-pyrazolecarboxylic acid IUPAC Name: 5-tert-butyl-1-quinolin-2-ylpyrazole-3-carboxylic acid Traditional Name: 5-tert-butyl-1-(2-quinolyl)pyrazole-3-carboxylic acid Formula: C17H17N3O2 MolecularWeight: 295.33578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NN1C2=NC3=CC=CC=C3C=C2)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=NN1C2=NC3=CC=CC=C3C=C2)C(=O)O

InChI

InChI=1S/C17H17N3O2/c1-17(2,3)14-10-13(16(21)22)19-20(14)15-9-8-11-6-4-5-7-12(11)18-15/h4-10H,1-3H3,(H,21,22)