(4E)-2-(4-fluorophenyl)-4-[(3-methoxy-2-prop-2-ynoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(4-fluorophenyl)-4-[(3-methoxy-2-prop-2-ynoxy-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-fluorophenyl)-4-[(3-methoxy-2-prop-2-ynoxy-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-fluorophenyl)-4-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-fluorophenyl)-4-[(3-methoxy-2-prop-2-ynoxyphenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-fluorophenyl)-4-(3-methoxy-2-propargyloxy-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C21H17FN2O3 MolecularWeight: 364.369683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=C(C(=CC=C2)OC)OCC#C)C3=CC=C(C=C3)F

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=C(C(=CC=C2)OC)OCC#C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H17FN2O3/c1-4-12-27-20-15(6-5-7-19(20)26-3)13-18-14(2)23-24(21(18)25)17-10-8-16(22)9-11-17/h1,5-11,13H,12H2,2-3H3/b18-13+