5-[(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(3E)-3-(6-bromanyl-2-oxidanylidene-4-phenyl-quinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-5-oxo-pentanoic acid CAS Name: 5-[(3E)-3-(6-bromo-2-oxo-4-phenyl-3-quinolinylidene)-5-(4-fluorophenyl)-1-pyrazolidinyl]-5-oxopentanoic acid IUPAC Name: 5-[(3E)-3-(6-bromo-2-oxo-4-phenylquinolin-3-ylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-5-oxopentanoic acid Traditional Name: 5-[(3E)-3-(6-bromo-2-keto-4-phenyl-3-quinolylidene)-5-(4-fluorophenyl)pyrazolidin-1-yl]-5-keto-valeric acid Formula: C29H23BrFN3O4 MolecularWeight: 576.413023

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(NC1=C2C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)CCCC(=O)O)C5=CC=C(C=C5)F

Isomeric SMILES

C\1C(N(N/C1=C/2\C(=C3C=C(C=CC3=NC2=O)Br)C4=CC=CC=C4)C(=O)CCCC(=O)O)C5=CC=C(C=C5)F

InChI

InChI=1S/C29H23BrFN3O4/c30-19-11-14-22-21(15-19)27(18-5-2-1-3-6-18)28(29(38)32-22)23-16-24(17-9-12-20(31)13-10-17)34(33-23)25(35)7-4-8-26(36)37/h1-3,5-6,9-15,24,33H,4,7-8,16H2,(H,36,37)/b28-23+