
 ml375

 45 49  0  0  0  0  0  0  0  0999 V2000
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   -1.8613    0.8201   -0.1858 C   0  0  0  0  0
   -1.2904   -0.5203   -0.3508 N   0  0  0  0  0
   -0.1515   -0.4884   -1.2926 C   0  0  0  0  0
   -0.0740    0.9490   -1.6346 N   0  0  0  0  0
    1.1415    1.5185   -1.3060 C   0  0  0  0  0
    1.4421    2.6972   -1.3245 O   0  0  0  0  0
    1.9778    0.4600   -0.7488 C   0  0  0  0  0
    3.2672    0.5752   -0.2554 C   0  0  0  0  0
    3.8227   -0.5417    0.3659 C   0  0  0  0  0
    3.0712   -1.7193    0.4988 C   0  0  0  0  0
    1.7640   -1.7983    0.0013 C   0  0  0  0  0
    1.2108   -0.7011   -0.6471 C   0  0  0  0  0
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  1  5  1  0  0  0
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M  END

>  <Chemical Name>
ml375

>  <PubChem CID>
71598521

>  <Formula>
C23H15ClF2N2O2

>  <Molecular Weight>
424.832000

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

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

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

>  <Isomeric SMILES>
C1CN([C@]2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC(=C(C=C5)F)F

>  <InChI Std. ID>
InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1

>  <InChI Key>
GXBAKXRLQAPKEE-QHCPKHFHSA-N

