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

Systemtic Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-chloranyl-7-methyl-quinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-chloro-7-methyl-3-quinolyl)-3,4-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-chloro-7-methyl-3-quinolinyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3S)-3-(4-bromophenyl)-5-(2-chloro-7-methylquinolin-3-yl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5S)-5-(4-bromophenyl)-3-(2-chloro-7-methyl-3-quinolyl)-2-pyrazolin-1-yl]-4-keto-butyrate Formula: C23H18BrClN3O3- MolecularWeight: 499.76432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)C3=NN(C(C3)C4=CC=C(C=C4)Br)C(=O)CCC(=O)[O-])Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)C3=NN([C@@H](C3)C4=CC=C(C=C4)Br)C(=O)CCC(=O)[O-])Cl

InChI

InChI=1S/C23H19BrClN3O3/c1-13-2-3-15-11-17(23(25)26-18(15)10-13)19-12-20(14-4-6-16(24)7-5-14)28(27-19)21(29)8-9-22(30)31/h2-7,10-11,20H,8-9,12H2,1H3,(H,30,31)/p-1/t20-/m0/s1