
 CHEMBL59947

 47 50  0  0  0  0  0  0  0  0999 V2000
   -0.0512    1.7595   -0.7980 C   0  0  0  0  0
    1.4083    2.0059   -1.1607 C   0  0  0  0  0
    1.9847    0.8077   -1.7543 N   0  0  0  0  0
    1.9531   -0.4010   -0.9327 C   0  0  0  0  0
    1.0746   -0.2866    0.3119 C   0  0  0  0  0
   -0.2089    0.5585    0.1511 C   0  0  0  0  0
   -1.4152   -0.2567   -0.1431 N   0  0  0  0  0
   -1.4597   -1.0202   -1.3163 C   0  0  0  0  0
   -0.5819   -1.0128   -2.1790 O   0  0  0  0  0
   -2.7133   -1.8253   -1.5547 C   0  0  0  0  0
   -3.1696   -2.4711   -0.2701 C   0  0  0  0  0
   -3.3933   -1.3895    0.7449 C   0  0  0  0  0
   -4.4430   -1.4979    1.6679 C   0  0  0  0  0
   -4.6503   -0.4971    2.6112 C   0  0  0  0  0
   -3.8089    0.6099    2.6371 C   0  0  0  0  0
   -2.7432    0.7079    1.7355 C   0  0  0  0  0
   -2.5077   -0.2974    0.7886 C   0  0  0  0  0
    2.2319    0.8042   -3.1336 C   0  0  0  0  0
    2.0211    1.7803   -3.8531 O   0  0  0  0  0
    2.7719   -0.4165   -3.7908 C   0  0  0  0  0
    2.1994   -0.8300   -5.0004 C   0  0  0  0  0
    2.6970   -1.9531   -5.6645 C   0  0  0  0  0
    3.7689   -2.6638   -5.1246 C   0  0  0  0  0
    4.3591   -2.2407   -3.9334 C   0  0  0  0  0
    3.8747   -1.1073   -3.2762 C   0  0  0  0  0
   -0.4615    2.6556   -0.3152 H   0  0  0  0  0
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    1.9988    2.2592   -0.2723 H   0  0  0  0  0
    1.4784    2.8600   -1.8421 H   0  0  0  0  0
    1.6573   -1.2644   -1.5331 H   0  0  0  0  0
    2.9807   -0.5889   -0.6016 H   0  0  0  0  0
    0.8494   -1.2838    0.7087 H   0  0  0  0  0
    1.6868    0.2018    1.0847 H   0  0  0  0  0
   -0.3333    0.9797    1.1538 H   0  0  0  0  0
   -2.4953   -2.6021   -2.2989 H   0  0  0  0  0
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   -4.0930   -3.0350   -0.4536 H   0  0  0  0  0
   -5.1067   -2.3594    1.6487 H   0  0  0  0  0
   -5.4729   -0.5754    3.3172 H   0  0  0  0  0
   -3.9842    1.4061    3.3565 H   0  0  0  0  0
   -2.1452    1.6125    1.7741 H   0  0  0  0  0
    1.3658   -0.2738   -5.4238 H   0  0  0  0  0
    2.2505   -2.2694   -6.6038 H   0  0  0  0  0
    4.1531   -3.5404   -5.6403 H   0  0  0  0  0
    5.2045   -2.7868   -3.5230 H   0  0  0  0  0
    4.3704   -0.7617   -2.3749 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 17  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
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 12 13  2  0  0  0
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 13 14  1  0  0  0
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 24 46  1  0  0  0
 25 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL59947

>  <PubChem CID>
14969510

>  <Formula>
C21H22N2O2

>  <Molecular Weight>
334.419000

>  <IUPAC Name>
1-(1-benzoylpiperidin-4-yl)-3,4-dihydroquinolin-2-one

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1N2C(=O)CCC3=CC=CC=C32)C(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C21H22N2O2/c24-20-11-10-16-6-4-5-9-19(16)23(20)18-12-14-22(15-13-18)21(25)17-7-2-1-3-8-17/h1-9,18H,10-15H2

>  <InChI Key>
BTMDANAHCWMZKX-UHFFFAOYSA-N

