5-(2,5-dimethylpyrrol-1-yl)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 5-(2,5-dimethylpyrrol-1-yl)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylic acid Openeye Name: 5-(2,5-dimethylpyrrol-1-yl)-1-(4,8-dimethyl-2-quinolyl)pyrazole-4-carboxylic acid CAS Name: 5-(2,5-dimethyl-1-pyrrolyl)-1-(4,8-dimethyl-2-quinolinyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-(2,5-dimethylpyrrol-1-yl)-1-(4,8-dimethylquinolin-2-yl)pyrazole-4-carboxylic acid Traditional Name: 5-(2,5-dimethylpyrrol-1-yl)-1-(4,8-dimethyl-2-quinolyl)pyrazole-4-carboxylic acid Formula: C21H20N4O2 MolecularWeight: 360.4091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C(=O)O)N4C(=CC=C4C)C

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)N3C(=C(C=N3)C(=O)O)N4C(=CC=C4C)C

InChI

InChI=1S/C21H20N4O2/c1-12-6-5-7-16-13(2)10-18(23-19(12)16)25-20(17(11-22-25)21(26)27)24-14(3)8-9-15(24)4/h5-11H,1-4H3,(H,26,27)