
 CHEMBL1770317

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.1055    2.4558    1.9570 C   0  0  0  0  0
    3.0766    2.5687    0.7679 C   0  0  0  0  0
    4.3268    3.3314    1.2328 C   0  0  0  0  0
    3.3901    1.1934    0.0815 C   0  0  0  0  0
    3.8953    0.1962    1.1246 C   0  0  0  0  0
    4.9404    0.2478    1.7525 O   0  0  0  0  0
    2.9438   -0.7541    1.2646 N   0  0  0  0  0
    1.9405   -0.5630    0.3958 C   0  0  0  0  0
    0.9733   -1.2922    0.2581 O   0  0  0  0  0
    2.1270    0.5913   -0.3023 O   0  0  0  0  0
    4.2489    1.2414   -1.1749 C   0  0  0  0  0
    4.4190    2.3255   -1.9613 C   0  0  0  0  0
    5.2559    2.3082   -3.1384 C   0  0  0  0  0
    5.9028    1.1864   -3.4787 C   0  0  0  0  0
    5.7473    0.0598   -2.7184 N   0  0  0  0  0
    4.9360   -0.0248   -1.6155 C   0  0  0  0  0
    4.7708   -1.0960   -1.0424 O   0  0  0  0  0
    6.7516    1.1146   -4.6694 C   0  0  0  0  0
    8.0993    1.4897   -4.6051 C   0  0  0  0  0
    8.9169    1.4359   -5.7467 C   0  0  0  0  0
   10.2698    1.8095   -5.6971 C   0  0  0  0  0
   11.0678    1.7540   -6.8411 C   0  0  0  0  0
   10.5248    1.3246   -8.0484 C   0  0  0  0  0
    9.1826    0.9479   -8.1149 C   0  0  0  0  0
    8.3665    0.9975   -6.9737 C   0  0  0  0  0
    7.0157    0.6212   -7.0263 C   0  0  0  0  0
    6.2148    0.6788   -5.8839 C   0  0  0  0  0
    1.1674    1.9738    1.6665 H   0  0  0  0  0
    1.8519    3.4517    2.3380 H   0  0  0  0  0
    2.5435    1.8909    2.7864 H   0  0  0  0  0
    2.5532    3.1960    0.0336 H   0  0  0  0  0
    4.8586    2.7963    2.0250 H   0  0  0  0  0
    4.0462    4.3116    1.6351 H   0  0  0  0  0
    5.0321    3.5123    0.4182 H   0  0  0  0  0
    3.0361   -1.5737    1.8366 H   0  0  0  0  0
    3.9272    3.2706   -1.7544 H   0  0  0  0  0
    5.3378    3.2174   -3.7270 H   0  0  0  0  0
    6.2120   -0.7969   -2.9945 H   0  0  0  0  0
    8.5152    1.8257   -3.6569 H   0  0  0  0  0
   10.7140    2.1477   -4.7635 H   0  0  0  0  0
   12.1135    2.0462   -6.7885 H   0  0  0  0  0
   11.1453    1.2816   -8.9398 H   0  0  0  0  0
    8.7771    0.6146   -9.0676 H   0  0  0  0  0
    6.5751    0.2805   -7.9608 H   0  0  0  0  0
    5.1695    0.3841   -5.9495 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  3 34  1  0  0  0
  4 10  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  2  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 18 27  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 24  1  0  0  0
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 27 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1770317

>  <PubChem CID>
49850345

>  <Formula>
C21H18N2O4

>  <Molecular Weight>
362.385000

>  <IUPAC Name>
5-(6-naphthalen-2-yl-2-oxo-1H-pyridin-3-yl)-5-propan-2-yl-1,3-oxazolidine-2,4-dione

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)C1(C(=O)NC(=O)O1)C2=CC=C(NC2=O)C3=CC4=CC=CC=C4C=C3

>  <Isomeric SMILES>
CC(C)C1(C(=O)NC(=O)O1)C2=CC=C(NC2=O)C3=CC4=CC=CC=C4C=C3

>  <InChI Std. ID>
InChI=1S/C21H18N2O4/c1-12(2)21(19(25)23-20(26)27-21)16-9-10-17(22-18(16)24)15-8-7-13-5-3-4-6-14(13)11-15/h3-12H,1-2H3,(H,22,24)(H,23,25,26)

>  <InChI Key>
HXVAXOYPIPUCRY-UHFFFAOYSA-N

