
 CHEMBL3908870

 49 51  0  0  0  0  0  0  0  0999 V2000
    2.9332   -5.3376   -8.2870 C   0  0  0  0  0
    2.0787   -5.2160   -7.0115 C   0  0  0  0  0
    2.9418   -4.8923   -5.7920 C   0  0  0  0  0
    3.5526   -3.5099   -5.8420 C   0  0  0  0  0
    4.5949   -3.2819   -5.2262 O   0  0  0  0  0
    2.8525   -2.5357   -6.5497 N   0  0  0  0  0
    1.6297   -2.7203   -7.1898 C   0  0  0  0  0
    1.0034   -1.8057   -7.7282 O   0  0  0  0  0
    1.0329   -4.1089   -7.1435 C   0  0  0  0  0
    3.4268   -1.1927   -6.5819 C   0  0  0  0  0
    2.9750   -0.3456   -5.3883 C   0  0  0  0  0
    3.5900    1.0550   -5.4610 C   0  0  0  0  0
    3.2218    1.9562   -4.2722 C   0  0  0  0  0
    3.5659    1.3995   -2.9507 N   0  0  0  0  0
    5.0426    1.3201   -2.7465 C   0  0  0  0  0
    5.4195    2.5384   -1.9669 C   0  0  0  0  0
    6.6730    3.0635   -1.7066 C   0  0  0  0  0
    6.7529    4.2145   -0.9203 C   0  0  0  0  0
    5.5905    4.8086   -0.4014 C   0  0  0  0  0
    4.3322    4.2599   -0.6632 C   0  0  0  0  0
    4.2664    3.1268   -1.4546 C   0  0  0  0  0
    3.0794    2.3213   -1.8761 C   0  0  0  0  0
    1.3643   -6.5599   -6.7823 C   0  0  0  0  0
    3.4752   -4.4150   -8.5183 H   0  0  0  0  0
    2.3087   -5.5760   -9.1554 H   0  0  0  0  0
    3.6770   -6.1362   -8.1849 H   0  0  0  0  0
    3.7583   -5.6204   -5.7066 H   0  0  0  0  0
    2.3526   -4.9484   -4.8675 H   0  0  0  0  0
    0.3340   -4.1266   -6.2975 H   0  0  0  0  0
    0.4458   -4.2554   -8.0589 H   0  0  0  0  0
    3.1427   -0.6976   -7.5181 H   0  0  0  0  0
    4.5205   -1.2697   -6.5875 H   0  0  0  0  0
    3.2686   -0.8443   -4.4576 H   0  0  0  0  0
    1.8808   -0.2682   -5.3747 H   0  0  0  0  0
    3.2419    1.5465   -6.3785 H   0  0  0  0  0
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    2.1351    2.1090   -4.3137 H   0  0  0  0  0
    3.6838    2.9408   -4.4199 H   0  0  0  0  0
    5.6158    1.2537   -3.6741 H   0  0  0  0  0
    5.2618    0.4302   -2.1454 H   0  0  0  0  0
    7.5699    2.5977   -2.1013 H   0  0  0  0  0
    7.7238    4.6531   -0.7026 H   0  0  0  0  0
    5.6730    5.7011    0.2131 H   0  0  0  0  0
    3.4349    4.7140   -0.2555 H   0  0  0  0  0
    2.2514    2.9593   -2.2039 H   0  0  0  0  0
    2.7354    1.7182   -1.0283 H   0  0  0  0  0
    0.7389   -6.5317   -5.8826 H   0  0  0  0  0
    2.0860   -7.3755   -6.6591 H   0  0  0  0  0
    0.7156   -6.8119   -7.6291 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  9  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
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  9 29  1  0  0  0
  9 30  1  0  0  0
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 11 33  1  0  0  0
 11 34  1  0  0  0
 12 13  1  0  0  0
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 13 14  1  0  0  0
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 14 15  1  0  0  0
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 23 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3908870

>  <PubChem CID>
134133064

>  <Formula>
C19H26N2O2

>  <Molecular Weight>
314.429000

>  <IUPAC Name>
1-[4-(1,3-dihydroisoindol-2-yl)butyl]-4,4-dimethylpiperidine-2,6-dione

>  <XlogP>
2.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1(CC(=O)N(C(=O)C1)CCCCN2CC3=CC=CC=C3C2)C

>  <Isomeric SMILES>
CC1(CC(=O)N(C(=O)C1)CCCCN2CC3=CC=CC=C3C2)C

>  <InChI Std. ID>
InChI=1S/C19H26N2O2/c1-19(2)11-17(22)21(18(23)12-19)10-6-5-9-20-13-15-7-3-4-8-16(15)14-20/h3-4,7-8H,5-6,9-14H2,1-2H3

>  <InChI Key>
HWHPJDOZGZLVJB-UHFFFAOYSA-N

