4-[(3S)-3-(2-chloranyl-6,7-dimethoxy-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-3-(2-chloranyl-6,7-dimethoxy-quinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(2-chloro-6,7-dimethoxy-3-quinolyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(2-chloro-6,7-dimethoxy-3-quinolinyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(2-chloro-6,7-dimethoxyquinolin-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(2-chloro-6,7-dimethoxy-3-quinolyl)-3-phenyl-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C24H21ClN3O5- MolecularWeight: 466.89364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC(=C(N=C2C=C1OC)Cl)C3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=CC(=C(N=C2C=C1OC)Cl)[C@@H]3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C24H22ClN3O5/c1-32-20-11-15-10-16(24(25)26-17(15)13-21(20)33-2)19-12-18(14-6-4-3-5-7-14)27-28(19)22(29)8-9-23(30)31/h3-7,10-11,13,19H,8-9,12H2,1-2H3,(H,30,31)/p-1/t19-/m0/s1