N-(4-((3-(Tert-butyl)-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methyl)phenyl)ethanamide
  -molcms-06142621442D

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   -3.4826   -0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.6180    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    2.5691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2872    2.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5962    3.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9271    4.4712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  3  4  2  0  0  0  0
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  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
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  9 10  1  0  0  0  0
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  8 11  1  0  0  0  0
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M  END
>  <ProductName>
N-(4-((3-(Tert-butyl)-5-oxo-1-phenyl-2-pyrazolin-4-ylidene)methyl)phenyl)ethanamide

>  <CASNumber>
1025561-80-1

>  <MolecularFormula>
C22H23N3O2

>  <MDLNo>
MFCD00955147

>  <MolWt>
361.44

>  <BoilingPoint>


>  <MeltingPoint>


>  <MolFile>


>  <Smiles>
O=C1/C(=C\C2C=CC(=CC=2)NC(C)=O)/C(C(C)(C)C)=NN1C1C=CC=CC=1

$$$$