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

Systemtic Name: (4E)-4-[(3-ethoxy-5-iodanyl-4-prop-2-enoxy-phenyl)methylidene]-2-phenyl-5-propyl-pyrazol-3-one Openeye Name: (4E)-4-[(4-allyloxy-3-ethoxy-5-iodo-phenyl)methylene]-2-phenyl-5-propyl-pyrazol-3-one CAS Name: (4E)-4-[(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylidene]-2-phenyl-5-propyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-ethoxy-5-iodo-4-prop-2-enoxyphenyl)methylidene]-2-phenyl-5-propylpyrazol-3-one Traditional Name: (4E)-4-(4-allyloxy-3-ethoxy-5-iodo-benzylidene)-2-phenyl-5-propyl-2-pyrazolin-3-one Formula: C24H25IN2O3 MolecularWeight: 516.37137

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)I)OCC=C)OCC)C3=CC=CC=C3

Isomeric SMILES

CCCC\1=NN(C(=O)/C1=C/C2=CC(=C(C(=C2)I)OCC=C)OCC)C3=CC=CC=C3

InChI

InChI=1S/C24H25IN2O3/c1-4-10-21-19(24(28)27(26-21)18-11-8-7-9-12-18)14-17-15-20(25)23(30-13-5-2)22(16-17)29-6-3/h5,7-9,11-12,14-16H,2,4,6,10,13H2,1,3H3/b19-14+