
 CHEMBL3361316

 49 53  0  0  0  0  0  0  0  0999 V2000
    8.0030    2.6575    3.7315 C   0  0  0  0  0
    7.4055    1.3929    4.0106 O   0  0  0  0  0
    7.5737    0.4579    3.0256 C   0  0  0  0  0
    7.7313   -0.8574    3.4589 C   0  0  0  0  0
    7.9676   -1.8756    2.5361 C   0  0  0  0  0
    8.0174   -1.5849    1.1706 C   0  0  0  0  0
    7.7664   -0.2853    0.7186 C   0  0  0  0  0
    7.5645    0.7383    1.6595 C   0  0  0  0  0
    7.7874    0.1116   -0.7191 C   0  0  0  0  0
    8.2235    1.2353   -0.9692 O   0  0  0  0  0
    7.2923   -0.7240   -1.7032 N   0  0  0  0  0
    6.5808   -1.9982   -1.5326 C   0  0  0  0  0
    5.9434   -2.2809   -2.8869 C   0  0  0  0  0
    6.8157   -1.5568   -3.7809 N   0  0  0  0  0
    7.3357   -0.3439   -3.1293 C   0  0  0  0  0
    8.7404   -0.2663   -3.6932 C   0  0  0  0  0
    9.7143    0.7157   -3.5700 C   0  0  0  0  0
   10.9353    0.5423   -4.2316 C   0  0  0  0  0
   11.1803   -0.6048   -5.0030 C   0  0  0  0  0
   10.2017   -1.5901   -5.1346 C   0  0  0  0  0
    8.9972   -1.3827   -4.4864 C   0  0  0  0  0
    7.8178   -2.2462   -4.4565 C   0  0  0  0  0
    7.7885   -3.3887   -4.8717 O   0  0  0  0  0
    6.4019    0.8291   -3.5039 C   0  0  0  0  0
    6.5740    1.5452   -4.7076 C   0  0  0  0  0
    5.7085    2.5843   -5.0675 C   0  0  0  0  0
    4.6388    2.9130   -4.2437 C   0  0  0  0  0
    4.4243    2.2096   -3.0641 C   0  0  0  0  0
    5.2954    1.1769   -2.6995 C   0  0  0  0  0
    3.5700    4.1836   -4.6893 Cl  0  0  0  0  0
    8.0352    3.2250    4.6677 H   0  0  0  0  0
    7.3998    3.2274    3.0185 H   0  0  0  0  0
    9.0329    2.5468    3.3741 H   0  0  0  0  0
    7.7086   -1.0826    4.5227 H   0  0  0  0  0
    8.1376   -2.8916    2.8852 H   0  0  0  0  0
    8.2850   -2.3825    0.4872 H   0  0  0  0  0
    7.4020    1.7523    1.3058 H   0  0  0  0  0
    7.3249   -2.7713   -1.3240 H   0  0  0  0  0
    5.8523   -1.9484   -0.7199 H   0  0  0  0  0
    4.9461   -1.8355   -2.9541 H   0  0  0  0  0
    5.8837   -3.3482   -3.1155 H   0  0  0  0  0
    9.5353    1.6136   -2.9829 H   0  0  0  0  0
   11.7034    1.3074   -4.1450 H   0  0  0  0  0
   12.1386   -0.7223   -5.5038 H   0  0  0  0  0
   10.3712   -2.4845   -5.7260 H   0  0  0  0  0
    7.3867    1.3018   -5.3893 H   0  0  0  0  0
    5.8759    3.1256   -5.9944 H   0  0  0  0  0
    3.5822    2.4553   -2.4211 H   0  0  0  0  0
    5.0937    0.6462   -1.7724 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 34  1  0  0  0
  5  6  2  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 37  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 12 39  1  0  0  0
 13 14  1  0  0  0
 13 40  1  0  0  0
 13 41  1  0  0  0
 14 22  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 24  1  0  0  0
 16 21  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 48  1  0  0  0
 29 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3361316

>  <PubChem CID>
3810205

>  <Formula>
C24H19ClN2O3

>  <Molecular Weight>
418.877000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
COC1=CC=CC(=C1)C(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl

>  <Isomeric SMILES>
COC1=CC=CC(=C1)C(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=C(C=C5)Cl

>  <InChI Std. ID>
InChI=1S/C24H19ClN2O3/c1-30-19-6-4-5-16(15-19)22(28)26-13-14-27-23(29)20-7-2-3-8-21(20)24(26,27)17-9-11-18(25)12-10-17/h2-12,15H,13-14H2,1H3

>  <InChI Key>
AXWICKMMFGIVMS-UHFFFAOYSA-N

