2-(4-chlorophenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 2-(4-chlorophenyl)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(4-chlorophenyl)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 2-(4-chlorophenyl)-4-(3-ethoxy-4-propargyloxy-benzylidene)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C22H16ClF3N2O3 MolecularWeight: 448.82225

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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)Cl)C(F)(F)F)OCC#C

Isomeric SMILES

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

InChI

InChI=1S/C22H16ClF3N2O3/c1-3-11-31-18-10-5-14(13-19(18)30-4-2)12-17-20(22(24,25)26)27-28(21(17)29)16-8-6-15(23)7-9-16/h1,5-10,12-13H,4,11H2,2H3