4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-one

Systemtic Name: 4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-one Openeye Name: 4-[(3-ethoxy-4-isobutoxy-phenyl)methylene]-2-(4-fluorophenyl)-5-methyl-pyrazol-3-one CAS Name: 4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-2-(4-fluorophenyl)-5-methyl-3-pyrazolone IUPAC Name: 4-[[3-ethoxy-4-(2-methylpropoxy)phenyl]methylidene]-2-(4-fluorophenyl)-5-methylpyrazol-3-one Traditional Name: 4-(3-ethoxy-4-isobutoxy-benzylidene)-2-(4-fluorophenyl)-5-methyl-2-pyrazolin-3-one Formula: C23H25FN2O3 MolecularWeight: 396.454603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)F)C)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)F)C)OCC(C)C

InChI

InChI=1S/C23H25FN2O3/c1-5-28-22-13-17(6-11-21(22)29-14-15(2)3)12-20-16(4)25-26(23(20)27)19-9-7-18(24)8-10-19/h6-13,15H,5,14H2,1-4H3