4-[(3R)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-3-(2-chloranyl-8-methyl-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-3-(2-chloro-8-methyl-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-3-(2-chloro-8-methyl-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-3-(2-chloro-8-methylquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-5-(2-chloro-8-methyl-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C23H19ClN3O3- MolecularWeight: 420.86826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=CC(=C(N=C12)Cl)C3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC2=CC(=C(N=C12)Cl)[C@H]3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H20ClN3O3/c1-14-6-5-9-16-12-17(23(24)25-22(14)16)19-13-18(15-7-3-2-4-8-15)26-27(19)20(28)10-11-21(29)30/h2-9,12,19H,10-11,13H2,1H3,(H,29,30)/p-1/t19-/m1/s1