5-[3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[3-(2-chloro-8-methyl-3-quinolyl)-5-(2-furyl)-3,4-dihydropyrazol-2-yl]-5-oxo-pentanoic acid CAS Name: 5-[3-(2-chloro-8-methyl-3-quinolinyl)-5-(2-furanyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid IUPAC Name: 5-[3-(2-chloro-8-methylquinolin-3-yl)-5-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid Traditional Name: 5-[5-(2-chloro-8-methyl-3-quinolyl)-3-(2-furyl)-2-pyrazolin-1-yl]-5-keto-valeric acid Formula: C22H20ClN3O4 MolecularWeight: 425.8649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CO4

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCCC(=O)O)C4=CC=CO4

InChI

InChI=1S/C22H20ClN3O4/c1-13-5-2-6-14-11-15(22(23)24-21(13)14)17-12-16(18-7-4-10-30-18)25-26(17)19(27)8-3-9-20(28)29/h2,4-7,10-11,17H,3,8-9,12H2,1H3,(H,28,29)