(4E)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodanyl-phenyl]methylidene]-2-phenyl-5-propyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodanyl-phenyl]methylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodo-phenyl]methylene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[[3-ethoxy-4-[(2-fluorophenyl)methoxy]-5-iodophenyl]methylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-4-[3-ethoxy-4-(2-fluorobenzyl)oxy-5-iodo-benzylidene]-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C28H26FIN2O3 MolecularWeight: 584.420513

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OCC3=CC=CC=C3F)OCC)C4=CC=CC=C4

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)I)OCC3=CC=CC=C3F)OCC)C4=CC=CC=C4

InChI

InChI=1S/C28H26FIN2O3/c1-3-10-25-22(28(33)32(31-25)21-12-6-5-7-13-21)15-19-16-24(30)27(26(17-19)34-4-2)35-18-20-11-8-9-14-23(20)29/h5-9,11-17H,3-4,10,18H2,1-2H3/b22-15+