
 CHEMBL3105208

 45 49  0  0  0  0  0  0  0  0999 V2000
   -1.3519    1.7977   -1.2412 C   0  0  0  0  0
   -1.9345    0.7368   -0.3289 C   0  0  0  0  0
   -1.2179   -0.5018   -0.6502 N   0  0  0  0  0
   -0.0206   -0.2165   -1.4694 C   0  0  0  0  0
   -0.0452    1.2619   -1.5395 N   0  0  0  0  0
    1.0830    1.8496   -1.0018 C   0  0  0  0  0
    1.2739    3.0288   -0.7739 O   0  0  0  0  0
    1.9706    0.7705   -0.5806 C   0  0  0  0  0
    3.2098    0.8882    0.0289 C   0  0  0  0  0
    3.8250   -0.2809    0.4688 C   0  0  0  0  0
    3.1810   -1.5169    0.3131 C   0  0  0  0  0
    1.9205   -1.6020   -0.2948 C   0  0  0  0  0
    1.3094   -0.4444   -0.7637 C   0  0  0  0  0
   -0.1001   -0.7907   -2.9108 C   0  0  0  0  0
   -0.5505   -0.0154   -4.0027 C   0  0  0  0  0
   -0.6220   -0.5302   -5.3024 C   0  0  0  0  0
   -0.2363   -1.8392   -5.5553 C   0  0  0  0  0
    0.2132   -2.6316   -4.5071 C   0  0  0  0  0
    0.2737   -2.1156   -3.2066 C   0  0  0  0  0
   -1.5670   -1.7768   -0.2453 C   0  0  0  0  0
   -0.9348   -2.7876   -0.5418 O   0  0  0  0  0
   -2.7910   -2.0054    0.5699 C   0  0  0  0  0
   -3.1034   -1.2576    1.7072 C   0  0  0  0  0
   -4.2590   -1.5528    2.4275 C   0  0  0  0  0
   -5.0778   -2.6136    2.0550 C   0  0  0  0  0
   -4.7514   -3.3990    0.9587 C   0  0  0  0  0
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   -6.1808   -2.8945    2.7632 F   0  0  0  0  0
   -4.5703   -0.8055    3.4946 F   0  0  0  0  0
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   -3.0154    0.6239   -0.4459 H   0  0  0  0  0
   -1.6998    0.9935    0.7089 H   0  0  0  0  0
    3.6712    1.8602    0.1709 H   0  0  0  0  0
    4.7989   -0.2357    0.9504 H   0  0  0  0  0
    3.6629   -2.4233    0.6748 H   0  0  0  0  0
    1.4465   -2.5745   -0.3803 H   0  0  0  0  0
   -0.8404    1.0234   -3.8745 H   0  0  0  0  0
   -0.9722    0.1004   -6.1158 H   0  0  0  0  0
   -0.2829   -2.2392   -6.5642 H   0  0  0  0  0
    0.5188   -3.6581   -4.6941 H   0  0  0  0  0
    0.6191   -2.7873   -2.4271 H   0  0  0  0  0
   -2.4598   -0.4665    2.0724 H   0  0  0  0  0
   -5.3793   -4.2446    0.6921 H   0  0  0  0  0
   -3.3413   -3.7201   -0.6370 H   0  0  0  0  0
  1  2  1  0  0  0
  1  5  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  4 13  1  0  0  0
  4  5  1  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
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  9 10  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3105208

>  <PubChem CID>
71607097

>  <Formula>
C23H16F2N2O2

>  <Molecular Weight>
390.390000

>  <IUPAC Name>
1-(3,4-difluorobenzoyl)-9b-phenyl-2,3-dihydroimidazo[2,1-a]isoindol-5-one

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)F)F

>  <Isomeric SMILES>
C1CN(C2(N1C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)C5=CC(=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C23H16F2N2O2/c24-19-11-10-15(14-20(19)25)21(28)26-12-13-27-22(29)17-8-4-5-9-18(17)23(26,27)16-6-2-1-3-7-16/h1-11,14H,12-13H2

>  <InChI Key>
RDSYLVNSMMDBBS-UHFFFAOYSA-N

