
 CHEMBL3353282

 65 69  0  0  0  0  0  0  0  0999 V2000
    9.0383    3.8635    6.3998 C   0  0  0  0  0
    7.6763    3.1882    6.2268 C   0  0  0  0  0
    6.7436    3.6311    7.3520 C   0  0  0  0  0
    7.0598    3.5710    4.9883 O   0  0  0  0  0
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    9.0951    1.7198    2.4986 C   0  0  0  0  0
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    9.5497    3.1377   -0.7279 O   0  0  0  0  0
    9.6819    0.8755   -0.4009 N   0  0  0  0  0
    9.4450   -0.3824    0.3189 C   0  0  0  0  0
    9.5078   -1.4787   -0.7320 C   0  0  0  0  0
   10.3071   -0.8649   -1.7593 N   0  0  0  0  0
   10.1390    0.5959   -1.7745 C   0  0  0  0  0
   11.5490    1.0565   -2.0904 C   0  0  0  0  0
   12.0682    2.3279   -2.2960 C   0  0  0  0  0
   13.4052    2.4557   -2.6965 C   0  0  0  0  0
   14.2131    1.3236   -2.8947 C   0  0  0  0  0
   13.7005    0.0457   -2.6806 C   0  0  0  0  0
   12.3773   -0.0506   -2.2861 C   0  0  0  0  0
   11.6128   -1.2570   -1.9770 C   0  0  0  0  0
   12.0971   -2.3654   -1.8420 O   0  0  0  0  0
    9.0876    0.9041   -2.8625 C   0  0  0  0  0
    7.7140    0.9766   -2.5648 C   0  0  0  0  0
    6.7629    1.1619   -3.5722 C   0  0  0  0  0
    7.1484    1.2654   -4.9073 C   0  0  0  0  0
    8.5007    1.1960   -5.2243 C   0  0  0  0  0
    9.4554    1.0103   -4.2175 C   0  0  0  0  0
    6.1146    1.4157   -5.7862 O   0  0  0  0  0
    6.3919    1.4250   -7.1897 C   0  0  0  0  0
    6.5157   -0.0043   -7.7125 C   0  0  0  0  0
    5.2150    2.1273   -7.8612 C   0  0  0  0  0
    9.7351    3.5880    5.6024 H   0  0  0  0  0
    9.4962    3.5843    7.3533 H   0  0  0  0  0
    8.9401    4.9537    6.3604 H   0  0  0  0  0
    7.7617    2.0981    6.2954 H   0  0  0  0  0
    6.5950    4.7164    7.3367 H   0  0  0  0  0
    7.1449    3.3463    8.3300 H   0  0  0  0  0
    5.7556    3.1738    7.2343 H   0  0  0  0  0
    6.6562    4.7150    2.7532 H   0  0  0  0  0
    7.6604    4.1265    0.5772 H   0  0  0  0  0
    9.8346    0.9293    2.4943 H   0  0  0  0  0
    8.7419    1.4158    4.5778 H   0  0  0  0  0
   10.2717   -0.5128    1.0253 H   0  0  0  0  0
    8.4905   -0.3741    0.8531 H   0  0  0  0  0
    8.5157   -1.6776   -1.1489 H   0  0  0  0  0
    9.9401   -2.4076   -0.3502 H   0  0  0  0  0
   11.4518    3.2151   -2.1790 H   0  0  0  0  0
   13.8196    3.4476   -2.8684 H   0  0  0  0  0
   15.2444    1.4467   -3.2187 H   0  0  0  0  0
   14.3056   -0.8429   -2.8253 H   0  0  0  0  0
    7.3566    0.8784   -1.5434 H   0  0  0  0  0
    5.7082    1.2109   -3.3116 H   0  0  0  0  0
    8.8597    1.2638   -6.2447 H   0  0  0  0  0
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    7.2878    2.0115   -7.4209 H   0  0  0  0  0
    5.6189   -0.5867   -7.4733 H   0  0  0  0  0
    7.3576   -0.5273   -7.2479 H   0  0  0  0  0
    6.6641   -0.0172   -8.7965 H   0  0  0  0  0
    4.2723    1.6135   -7.6431 H   0  0  0  0  0
    5.3481    2.1763   -8.9460 H   0  0  0  0  0
    5.1137    3.1479   -7.4758 H   0  0  0  0  0
  1  2  1  0  0  0
  1 36  1  0  0  0
  1 37  1  0  0  0
  1 38  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 39  1  0  0  0
  3 40  1  0  0  0
  3 41  1  0  0  0
  3 42  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 43  1  0  0  0
  7  8  2  0  0  0
  7 44  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 45  1  0  0  0
 10 46  1  0  0  0
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 30 57  1  0  0  0
 31 58  1  0  0  0
 32 33  1  0  0  0
 33 35  1  0  0  0
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 35 63  1  0  0  0
 35 64  1  0  0  0
 35 65  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3353282

>  <PubChem CID>
118719494

>  <Formula>
C29H30N2O4

>  <Molecular Weight>
470.569000

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

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)OC1=CC=C(C=C1)C(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(C)C

>  <Isomeric SMILES>
CC(C)OC1=CC=C(C=C1)C(=O)N2CCN3C2(C4=CC=CC=C4C3=O)C5=CC=C(C=C5)OC(C)C

>  <InChI Std. ID>
InChI=1S/C29H30N2O4/c1-19(2)34-23-13-9-21(10-14-23)27(32)30-17-18-31-28(33)25-7-5-6-8-26(25)29(30,31)22-11-15-24(16-12-22)35-20(3)4/h5-16,19-20H,17-18H2,1-4H3

>  <InChI Key>
APRLKAYTRVMDNV-UHFFFAOYSA-N

