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4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one
4-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one
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Descriptors Computed from Structure
Canonical SMILES:
CCCC1=NN(C(=O)C1=CNCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F
Isomeric SMILES
CCCC1=NN(C(=O)C1=CNCC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H20FN3O3/c1-2-3-18-17(21(26)25(24-18)16-7-5-15(22)6-8-16)12-23-11-14-4-9-19-20(10-14)28-13-27-19/h4-10,12,23H,2-3,11,13H2,1H3
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