
 CHEMBL560177

 44 47  0  0  0  0  0  0  0  0999 V2000
   -0.2558   -0.5101    1.4642 C   0  0  0  0  0
   -0.9133    0.7283    0.8729 C   0  0  0  0  0
   -0.8253    0.5288   -0.5592 N   0  0  0  0  0
    0.1236   -0.4779   -0.8428 C   0  0  0  0  0
    0.5208   -0.8745   -1.9275 O   0  0  0  0  0
    0.5656   -0.9915    0.3852 N   0  0  0  0  0
    1.3830   -2.1888    0.4833 C   0  0  0  0  0
    0.6205   -3.4707    0.0921 C   0  0  0  0  0
    1.4456   -4.6810    0.1737 N   0  0  0  0  0
    0.6651   -5.9052   -0.1360 C   0  0  0  0  0
    1.6254   -6.8077   -0.8431 C   0  0  0  0  0
    1.4950   -8.1442   -1.1781 C   0  0  0  0  0
    2.5366   -8.7512   -1.8845 C   0  0  0  0  0
    3.6780   -8.0180   -2.2488 C   0  0  0  0  0
    3.7923   -6.6672   -1.9138 C   0  0  0  0  0
    2.7565   -6.0806   -1.2078 C   0  0  0  0  0
    2.5951   -4.6619   -0.7666 C   0  0  0  0  0
   -1.5190    1.3282   -1.5035 C   0  0  0  0  0
   -1.5581    0.9912   -2.8629 C   0  0  0  0  0
   -2.2532    1.7880   -3.7762 C   0  0  0  0  0
   -2.9142    2.9378   -3.3571 C   0  0  0  0  0
   -2.8870    3.2879   -2.0111 C   0  0  0  0  0
   -2.2018    2.4848   -1.0927 C   0  0  0  0  0
   -2.3044    1.3402   -5.4385 Cl  0  0  0  0  0
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    0.3016   -6.3590    0.7910 H   0  0  0  0  0
    0.6091   -8.7080   -0.9060 H   0  0  0  0  0
    2.4623   -9.8000   -2.1612 H   0  0  0  0  0
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    3.4922   -4.3042   -0.2519 H   0  0  0  0  0
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   -3.4483    3.5590   -4.0706 H   0  0  0  0  0
   -3.3951    4.1879   -1.6739 H   0  0  0  0  0
   -2.1968    2.8042   -0.0546 H   0  0  0  0  0
  1  6  1  0  0  0
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  1 25  1  0  0  0
  1 26  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL560177

>  <PubChem CID>
44517726

>  <Formula>
C19H20ClN3O

>  <Molecular Weight>
341.839000

>  <IUPAC Name>
1-(3-chlorophenyl)-3-[2-(1,3-dihydroisoindol-2-yl)ethyl]imidazolidin-2-one

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)C4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
C1CN(C(=O)N1CCN2CC3=CC=CC=C3C2)C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C19H20ClN3O/c20-17-6-3-7-18(12-17)23-11-10-22(19(23)24)9-8-21-13-15-4-1-2-5-16(15)14-21/h1-7,12H,8-11,13-14H2

>  <InChI Key>
TZQRQWWAQZCVET-UHFFFAOYSA-N

