
 CHEMBL144718

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.2666    0.1519   -0.3306 C   0  0  0  0  0
   -1.1323   -1.1010   -0.2407 C   0  0  0  0  0
   -0.5076   -2.2184   -0.9474 N   0  0  0  0  0
    0.7953   -2.5518   -0.3739 C   0  0  0  0  0
    1.7517   -1.3579   -0.3980 C   0  0  0  0  0
    1.1540   -0.0741    0.2068 C   0  0  0  0  0
    1.1894   -0.0309    1.7157 C   0  0  0  0  0
    1.5057    1.0099    2.4956 C   0  0  0  0  0
    1.3890    0.4686    3.8498 C   0  0  0  0  0
    1.4844    1.1076    4.8814 O   0  0  0  0  0
    1.1495   -0.8711    3.7372 N   0  0  0  0  0
    0.8934   -1.2082    2.3940 O   0  0  0  0  0
    1.9211    2.4118    2.2343 C   0  0  0  0  0
    0.9151    3.2556    1.4838 C   0  0  0  0  0
   -0.2277    3.7572    2.1270 C   0  0  0  0  0
   -1.1457    4.5811    1.4469 C   0  0  0  0  0
   -2.2768    5.1140    2.0878 C   0  0  0  0  0
   -3.1664    5.9430    1.3995 C   0  0  0  0  0
   -2.9416    6.2456    0.0601 C   0  0  0  0  0
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    1.1249    3.5760    0.1373 C   0  0  0  0  0
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    2.0155   -1.1525   -1.4447 H   0  0  0  0  0
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    0.7897   -1.4432    4.4853 H   0  0  0  0  0
    2.8735    2.4005    1.6897 H   0  0  0  0  0
    2.1488    2.9279    3.1763 H   0  0  0  0  0
   -0.3948    3.5204    3.1773 H   0  0  0  0  0
   -2.4696    4.8935    3.1353 H   0  0  0  0  0
   -4.0324    6.3547    1.9113 H   0  0  0  0  0
   -3.6308    6.8926   -0.4765 H   0  0  0  0  0
   -1.6644    5.9714   -1.6396 H   0  0  0  0  0
    0.4065    4.6068   -1.6005 H   0  0  0  0  0
    2.0042    3.2089   -0.3870 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
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M  END

>  <Chemical Name>
CHEMBL144718

>  <PubChem CID>
10335436

>  <Formula>
C19H20N2O2

>  <Molecular Weight>
308.381000

>  <IUPAC Name>
4-(naphthalen-2-ylmethyl)-5-piperidin-4-yl-1,2-oxazol-3-one

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CNCCC1C2=C(C(=O)NO2)CC3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
C1CNCCC1C2=C(C(=O)NO2)CC3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)

>  <InChI Key>
QUBHUQVCFZIJRF-UHFFFAOYSA-N

