4-[(3R)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2-fluorophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(3R)-5-(6-bromanyl-2-methyl-4-phenyl-quinolin-3-yl)-3-(2-fluorophenyl)-1,3-dihydropyrazol-2-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(3R)-5-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-3-(2-fluorophenyl)-1,3-dihydropyrazol-2-yl]-4-oxo-butanoate CAS Name: 4-[(3R)-5-(6-bromo-2-methyl-4-phenyl-3-quinolinyl)-3-(2-fluorophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate IUPAC Name: 4-[(3R)-5-(6-bromo-2-methyl-4-phenylquinolin-3-yl)-3-(2-fluorophenyl)-1,3-dihydropyrazol-2-yl]-4-oxobutanoate Traditional Name: 4-[(5R)-3-(6-bromo-2-methyl-4-phenyl-3-quinolyl)-5-(2-fluorophenyl)-3-pyrazolin-1-yl]-4-keto-butyrate Formula: C29H22BrFN3O3- MolecularWeight: 559.405683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=CC(N(N4)C(=O)CCC(=O)[O-])C5=CC=CC=C5F

Isomeric SMILES

CC1=C(C(=C2C=C(C=CC2=N1)Br)C3=CC=CC=C3)C4=C[C@@H](N(N4)C(=O)CCC(=O)[O-])C5=CC=CC=C5F

InChI

InChI=1S/C29H23BrFN3O3/c1-17-28(29(18-7-3-2-4-8-18)21-15-19(30)11-12-23(21)32-17)24-16-25(20-9-5-6-10-22(20)31)34(33-24)26(35)13-14-27(36)37/h2-12,15-16,25,33H,13-14H2,1H3,(H,36,37)/p-1/t25-/m1/s1