5-[3-(2-chloranylquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-(2-chloranylquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloroquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C23H20ClN3O3 MolecularWeight: 421.8762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC4=CC=CC=C4N=C3Cl

Isomeric SMILES

C1C(N(N=C1C2=CC=CC=C2)C(=O)CCCC(=O)O)C3=CC4=CC=CC=C4N=C3Cl

InChI

InChI=1S/C23H20ClN3O3/c24-23-17(13-16-9-4-5-10-18(16)25-23)20-14-19(15-7-2-1-3-8-15)26-27(20)21(28)11-6-12-22(29)30/h1-5,7-10,13,20H,6,11-12,14H2,(H,29,30)