4-[(3S)-5-(4-bromophenyl)-3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3S)-5-(4-bromophenyl)-3-(2-chloranyl-7-ethoxy-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-5-(4-bromophenyl)-3-(2-chloro-7-ethoxy-3-quinolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-5-(4-bromophenyl)-3-(2-chloro-7-ethoxy-3-quinolinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-5-(4-bromophenyl)-3-(2-chloro-7-ethoxyquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-3-(4-bromophenyl)-5-(2-chloro-7-ethoxy-3-quinolyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C24H20BrClN3O4- MolecularWeight: 529.7903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=NC(=C(C=C2C=C1)C3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

CCOC1=CC2=NC(=C(C=C2C=C1)[C@@H]3CC(=NN3C(=O)CCC(=O)[O-])C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C24H21BrClN3O4/c1-2-33-17-8-5-15-11-18(24(26)27-19(15)12-17)21-13-20(14-3-6-16(25)7-4-14)28-29(21)22(30)9-10-23(31)32/h3-8,11-12,21H,2,9-10,13H2,1H3,(H,31,32)/p-1/t21-/m0/s1