(4E)-4-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one

Systemtic Name: (4E)-4-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylidene]-5-methyl-2-phenyl-pyrazol-3-one Openeye Name: (4E)-4-[(3-chloro-5-ethoxy-4-propoxy-phenyl)methylene]-5-methyl-2-phenyl-pyrazol-3-one CAS Name: (4E)-4-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]-5-methyl-2-phenyl-3-pyrazolone IUPAC Name: (4E)-4-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one Traditional Name: (4E)-4-(3-chloro-5-ethoxy-4-propoxy-benzylidene)-5-methyl-2-phenyl-2-pyrazolin-3-one Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C/2\C(=NN(C2=O)C3=CC=CC=C3)C)OCC

InChI

InChI=1S/C22H23ClN2O3/c1-4-11-28-21-19(23)13-16(14-20(21)27-5-2)12-18-15(3)24-25(22(18)26)17-9-7-6-8-10-17/h6-10,12-14H,4-5,11H2,1-3H3/b18-12+