2-[4-[4-(4,4-dimethyl-5-oxidanylidene-1H-pyrazol-3-yl)-2-fluoranyl-phenoxy]butyl]-5-(2-ethyl-8-methoxy-quinolin-5-yl)-4,4-dimethyl-pyrazol-3-one

Systemtic Name: 2-[4-[4-(4,4-dimethyl-5-oxidanylidene-1H-pyrazol-3-yl)-2-fluoranyl-phenoxy]butyl]-5-(2-ethyl-8-methoxy-quinolin-5-yl)-4,4-dimethyl-pyrazol-3-one Openeye Name: 2-[4-[4-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-2-fluoro-phenoxy]butyl]-5-(2-ethyl-8-methoxy-5-quinolyl)-4,4-dimethyl-pyrazol-3-one CAS Name: 2-[4-[4-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-2-fluorophenoxy]butyl]-5-(2-ethyl-8-methoxy-5-quinolinyl)-4,4-dimethyl-3-pyrazolone IUPAC Name: 2-[4-[4-(4,4-dimethyl-5-oxo-1H-pyrazol-3-yl)-2-fluorophenoxy]butyl]-5-(2-ethyl-8-methoxyquinolin-5-yl)-4,4-dimethylpyrazol-3-one Traditional Name: 5-(2-ethyl-8-methoxy-5-quinolyl)-2-[4-[2-fluoro-4-(5-keto-4,4-dimethyl-2-pyrazolin-3-yl)phenoxy]butyl]-4,4-dimethyl-2-pyrazolin-3-one Formula: C32H36FN5O4 MolecularWeight: 573.657743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CC(=C2C=C1)C3=NN(C(=O)C3(C)C)CCCCOC4=C(C=C(C=C4)C5=NNC(=O)C5(C)C)F)OC

Isomeric SMILES

CCC1=NC2=C(C=CC(=C2C=C1)C3=NN(C(=O)C3(C)C)CCCCOC4=C(C=C(C=C4)C5=NNC(=O)C5(C)C)F)OC

InChI

InChI=1S/C32H36FN5O4/c1-7-20-11-12-21-22(13-15-25(41-6)26(21)34-20)28-32(4,5)30(40)38(37-28)16-8-9-17-42-24-14-10-19(18-23(24)33)27-31(2,3)29(39)36-35-27/h10-15,18H,7-9,16-17H2,1-6H3,(H,36,39)