5-pyrrol-1-yl-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylic acid

Systemtic Name: 5-pyrrol-1-yl-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylic acid Openeye Name: 5-pyrrol-1-yl-1-(4,6,8-trimethyl-2-quinolyl)pyrazole-4-carboxylic acid CAS Name: 5-(1-pyrrolyl)-1-(4,6,8-trimethyl-2-quinolinyl)-4-pyrazolecarboxylic acid IUPAC Name: 5-pyrrol-1-yl-1-(4,6,8-trimethylquinolin-2-yl)pyrazole-4-carboxylic acid Traditional Name: 5-pyrrol-1-yl-1-(4,6,8-trimethyl-2-quinolyl)pyrazole-4-carboxylic acid Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)N3C(=C(C=N3)C(=O)O)N4C=CC=C4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)N3C(=C(C=N3)C(=O)O)N4C=CC=C4)C)C

InChI

InChI=1S/C20H18N4O2/c1-12-8-14(3)18-15(9-12)13(2)10-17(22-18)24-19(23-6-4-5-7-23)16(11-21-24)20(25)26/h4-11H,1-3H3,(H,25,26)