
 CHEMBL540543

 43 44  0  0  0  0  0  0  0  0999 V2000
    1.5271   -0.8379    1.4703 C   0  0  0  0  0
    1.3650    0.4529    0.6671 C   0  0  0  0  0
    2.6183    1.1911    0.6058 N   0  0  0  0  0
    3.3247    1.4767   -0.4953 C   0  0  0  0  0
    2.9910    1.1391   -1.6214 O   0  0  0  0  0
    4.5797    2.2561   -0.1228 C   0  0  0  0  0
    4.6271    3.6711   -0.7310 C   0  0  0  0  0
    4.9607    3.6241   -2.2343 C   0  0  0  0  0
    6.2261    2.8977   -2.5055 N   0  0  0  0  0
    6.1582    1.5146   -1.9763 C   0  0  0  0  0
    5.8713    1.4870   -0.4591 C   0  0  0  0  0
    7.4513    3.6039   -2.0570 C   0  0  0  0  0
    7.6248    4.9417   -2.7311 C   0  0  0  0  0
    7.6791    6.1183   -1.9630 C   0  0  0  0  0
    7.8557    7.3572   -2.5848 C   0  0  0  0  0
    7.9810    7.4314   -3.9743 C   0  0  0  0  0
    7.9275    6.2661   -4.7450 C   0  0  0  0  0
    7.7493    5.0232   -4.1274 C   0  0  0  0  0
    4.4155    2.3384    1.2642 O   0  0  0  0  0
    3.2775    1.7188    1.6386 C   0  0  0  0  0
    2.8955    1.6598    2.7969 O   0  0  0  0  0
    1.8457   -2.0241   -2.5774 Cl  0  0  0  0  0
    0.5642   -1.3900    1.4893 H   0  0  0  0  0
    1.8228   -0.6237    2.5180 H   0  0  0  0  0
    2.3010   -1.4824    1.0018 H   0  0  0  0  0
    0.5808    1.0897    1.1303 H   0  0  0  0  0
    1.0255    0.1792   -0.3544 H   0  0  0  0  0
    3.6628    4.1985   -0.5634 H   0  0  0  0  0
    5.4130    4.2595   -0.2143 H   0  0  0  0  0
    4.1350    3.1201   -2.7803 H   0  0  0  0  0
    5.0060    4.6572   -2.6395 H   0  0  0  0  0
    7.1068    0.9739   -2.1859 H   0  0  0  0  0
    5.3620    0.9604   -2.5166 H   0  0  0  0  0
    5.8056    0.4386   -0.0945 H   0  0  0  0  0
    6.7198    1.9573    0.0778 H   0  0  0  0  0
    8.3444    2.9917   -2.3100 H   0  0  0  0  0
    7.4561    3.7382   -0.9576 H   0  0  0  0  0
    7.5864    6.0753   -0.8847 H   0  0  0  0  0
    7.8980    8.2596   -1.9884 H   0  0  0  0  0
    8.1209    8.3919   -4.4531 H   0  0  0  0  0
    8.0269    6.3261   -5.8209 H   0  0  0  0  0
    7.7134    4.1257   -4.7321 H   0  0  0  0  0
    0.6252   -1.4483   -2.3114 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  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 20  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 19  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 12 37  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 16  2  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 42  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 22 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL540543

>  <PubChem CID>
45264582

>  <Formula>
C16H21ClN2O3

>  <Molecular Weight>
324.805000

>  <IUPAC Name>
8-benzyl-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C(=O)C2(CCN(CC2)CC3=CC=CC=C3)OC1=O.Cl

>  <Isomeric SMILES>
CCN1C(=O)C2(CCN(CC2)CC3=CC=CC=C3)OC1=O.Cl

>  <InChI Std. ID>
InChI=1S/C16H20N2O3.ClH/c1-2-18-14(19)16(21-15(18)20)8-10-17(11-9-16)12-13-6-4-3-5-7-13;/h3-7H,2,8-12H2,1H3;1H

>  <InChI Key>
DJCIJKAGQGEKOA-UHFFFAOYSA-N

