4-[(3R)-3-(2-chloranylquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-3-(2-chloranylquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-3-(2-chloro-3-quinolyl)-5-(p-tolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-3-(2-chloro-3-quinolinyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-(2-chloroquinolin-3-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-5-(2-chloro-3-quinolyl)-3-(p-tolyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C23H19ClN3O3- MolecularWeight: 420.86826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC4=CC=CC=C4N=C3Cl)C(=O)CCC(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN([C@H](C2)C3=CC4=CC=CC=C4N=C3Cl)C(=O)CCC(=O)[O-]

InChI

InChI=1S/C23H20ClN3O3/c1-14-6-8-15(9-7-14)19-13-20(27(26-19)21(28)10-11-22(29)30)17-12-16-4-2-3-5-18(16)25-23(17)24/h2-9,12,20H,10-11,13H2,1H3,(H,29,30)/p-1/t20-/m1/s1