2-(4-chlorophenyl)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-5-(trifluoromethyl)pyrazol-3-one

Systemtic Name: 2-(4-chlorophenyl)-4-[(3-methoxy-4-phenylmethoxy-phenyl)methylidene]-5-(trifluoromethyl)pyrazol-3-one Openeye Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methylene]-2-(4-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-one CAS Name: 2-(4-chlorophenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-(trifluoromethyl)-3-pyrazolone IUPAC Name: 2-(4-chlorophenyl)-4-[(3-methoxy-4-phenylmethoxyphenyl)methylidene]-5-(trifluoromethyl)pyrazol-3-one Traditional Name: 4-(4-benzoxy-3-methoxy-benzylidene)-2-(4-chlorophenyl)-5-(trifluoromethyl)-2-pyrazolin-3-one Formula: C25H18ClF3N2O3 MolecularWeight: 486.87023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)Cl)C(F)(F)F)OCC4=CC=CC=C4

InChI

InChI=1S/C25H18ClF3N2O3/c1-33-22-14-17(7-12-21(22)34-15-16-5-3-2-4-6-16)13-20-23(25(27,28)29)30-31(24(20)32)19-10-8-18(26)9-11-19/h2-14H,15H2,1H3