
 CHEMBL1243232

 52 54  0  0  0  0  0  0  0  0999 V2000
    3.7030   -0.3398    2.1272 C   0  0  0  0  0
    2.8573   -0.1070    0.8895 C   0  0  0  0  0
    2.7634    1.3620    0.5380 C   0  0  0  0  0
    1.7156    1.9899    0.6451 O   0  0  0  0  0
    3.9416    1.9063    0.0775 N   0  0  0  0  0
    4.0583    3.3071   -0.3064 C   0  0  0  0  0
    4.6333    3.4285   -1.7176 C   0  0  0  0  0
    4.8388    4.8972   -2.0904 C   0  0  0  0  0
    5.6672    5.6453   -1.1310 N   0  0  0  0  0
    5.1158    5.5211    0.2286 C   0  0  0  0  0
    4.9230    4.0764    0.6930 C   0  0  0  0  0
    7.0917    5.2940   -1.2406 C   0  0  0  0  0
    7.9998    6.2953   -0.5180 C   0  0  0  0  0
    9.4769    5.9624   -0.7435 C   0  0  0  0  0
   10.3505    6.8618    0.0044 N   0  0  0  0  0
   10.6437    6.5418    1.3258 C   0  0  0  0  0
   10.2474    5.5164    1.8835 O   0  0  0  0  0
   11.4027    7.6156    2.0944 C   0  0  0  0  0
   12.2856    8.4572    1.3798 O   0  0  0  0  0
   11.7929    8.8235    0.1567 C   0  0  0  0  0
   12.3452    9.9879   -0.3843 C   0  0  0  0  0
   11.9376   10.4377   -1.6370 C   0  0  0  0  0
   10.9858    9.7161   -2.3503 C   0  0  0  0  0
   10.4454    8.5405   -1.8160 C   0  0  0  0  0
   10.8453    8.0732   -0.5562 C   0  0  0  0  0
    3.6932   -1.3998    2.3998 H   0  0  0  0  0
    3.3215    0.2379    2.9758 H   0  0  0  0  0
    4.7439   -0.0428    1.9638 H   0  0  0  0  0
    1.8423   -0.4849    1.0565 H   0  0  0  0  0
    3.2694   -0.6526    0.0335 H   0  0  0  0  0
    4.7747    1.3325    0.0622 H   0  0  0  0  0
    3.0562    3.7544   -0.3061 H   0  0  0  0  0
    3.9506    2.9604   -2.4374 H   0  0  0  0  0
    5.5812    2.8810   -1.7929 H   0  0  0  0  0
    5.2638    4.9677   -3.0993 H   0  0  0  0  0
    3.8589    5.3885   -2.1557 H   0  0  0  0  0
    5.7232    6.0653    0.9582 H   0  0  0  0  0
    4.1419    6.0283    0.2466 H   0  0  0  0  0
    5.8946    3.5824    0.8192 H   0  0  0  0  0
    4.4464    4.0689    1.6810 H   0  0  0  0  0
    7.3770    5.3081   -2.3009 H   0  0  0  0  0
    7.2900    4.2791   -0.8775 H   0  0  0  0  0
    7.8008    6.2883    0.5591 H   0  0  0  0  0
    7.7886    7.3122   -0.8709 H   0  0  0  0  0
    9.7393    5.9670   -1.8066 H   0  0  0  0  0
    9.6654    4.9361   -0.4029 H   0  0  0  0  0
   12.0006    7.1068    2.8586 H   0  0  0  0  0
   10.6657    8.2387    2.6164 H   0  0  0  0  0
   13.0918   10.5442    0.1764 H   0  0  0  0  0
   12.3625   11.3468   -2.0543 H   0  0  0  0  0
   10.6625   10.0648   -3.3285 H   0  0  0  0  0
    9.7031    8.0194   -2.4120 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  1  0  0  0
  7 33  1  0  0  0
  7 34  1  0  0  0
  8  9  1  0  0  0
  8 35  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 39  1  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 15 25  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 49  1  0  0  0
 22 23  2  0  0  0
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 24 52  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1243232

>  <PubChem CID>
46930250

>  <Formula>
C19H27N3O3

>  <Molecular Weight>
345.443000

>  <IUPAC Name>
N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]propanamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC(=O)NC1CCN(CC1)CCCN2C(=O)COC3=CC=CC=C32

>  <Isomeric SMILES>
CCC(=O)NC1CCN(CC1)CCCN2C(=O)COC3=CC=CC=C32

>  <InChI Std. ID>
InChI=1S/C19H27N3O3/c1-2-18(23)20-15-8-12-21(13-9-15)10-5-11-22-16-6-3-4-7-17(16)25-14-19(22)24/h3-4,6-7,15H,2,5,8-14H2,1H3,(H,20,23)

>  <InChI Key>
AGKUUDUVMCFVHC-UHFFFAOYSA-N

