
 CHEMBL242573

 43 46  0  0  0  0  0  0  0  0999 V2000
   -2.7822    1.7538    0.6195 C   0  0  0  0  0
   -1.7127    2.7206    0.0541 C   0  0  0  0  0
   -0.3416    2.1230    0.1869 C   0  0  0  0  0
    0.8560    2.8400    0.1828 C   0  0  0  0  0
    2.0829    2.1780    0.3107 C   0  0  0  0  0
    2.1506    0.7783    0.4423 C   0  0  0  0  0
    0.9563    0.0331    0.4266 C   0  0  0  0  0
   -0.2253    0.7357    0.2836 C   0  0  0  0  0
   -1.2588   -0.1610    0.2723 N   0  0  0  0  0
   -2.6247    0.3078    0.1057 C   0  0  0  0  0
   -0.7899   -1.4263    0.4407 C   0  0  0  0  0
    0.5951   -1.3530    0.5434 C   0  0  0  0  0
    1.5268   -2.5040    0.7644 C   0  0  0  0  0
    2.0742   -3.1183   -0.5259 C   0  0  0  0  0
    1.0153   -3.7722   -1.4147 C   0  0  0  0  0
    0.3319   -4.8726   -0.7640 N   0  0  0  0  0
    0.8397   -6.1483   -0.7681 C   0  0  0  0  0
    1.8753   -6.4763   -1.3285 O   0  0  0  0  0
    0.0172   -7.1424   -0.0205 C   0  0  0  0  0
   -0.1630   -8.5377   -0.5738 C   0  0  0  0  0
    0.6833   -8.3236    0.6476 C   0  0  0  0  0
   -3.7843    2.1274    0.3819 H   0  0  0  0  0
   -2.6975    1.7425    1.7150 H   0  0  0  0  0
   -1.9140    2.9206   -1.0044 H   0  0  0  0  0
   -1.7660    3.6704    0.5981 H   0  0  0  0  0
    0.8412    3.9231    0.0874 H   0  0  0  0  0
    3.0042    2.7563    0.3141 H   0  0  0  0  0
    3.1117    0.2864    0.5528 H   0  0  0  0  0
   -2.8491    0.2489   -0.9652 H   0  0  0  0  0
   -3.2872   -0.3726    0.6498 H   0  0  0  0  0
   -1.4601   -2.2739    0.4769 H   0  0  0  0  0
    1.0250   -3.2712    1.3667 H   0  0  0  0  0
    2.3742   -2.1582    1.3705 H   0  0  0  0  0
    2.8280   -3.8683   -0.2546 H   0  0  0  0  0
    2.5924   -2.3468   -1.1087 H   0  0  0  0  0
    1.4972   -4.1504   -2.3237 H   0  0  0  0  0
    0.2539   -3.0522   -1.7281 H   0  0  0  0  0
   -0.5078   -4.6719   -0.2408 H   0  0  0  0  0
   -0.8401   -6.7303    0.5031 H   0  0  0  0  0
    0.3433   -8.7943   -1.4988 H   0  0  0  0  0
   -1.1268   -9.0163   -0.4481 H   0  0  0  0  0
    0.2942   -8.6547    1.6028 H   0  0  0  0  0
    1.7575   -8.4365    0.5424 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 27  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 29  1  0  0  0
 10 30  1  0  0  0
 11 12  2  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 21 42  1  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL242573

>  <PubChem CID>
16743124

>  <Formula>
C18H22N2O

>  <Molecular Weight>
282.387000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2=CC=CC3=C2N(C1)C=C3CCCNC(=O)C4CC4

>  <Isomeric SMILES>
C1CC2=CC=CC3=C2N(C1)C=C3CCCNC(=O)C4CC4

>  <InChI Std. ID>
InChI=1S/C18H22N2O/c21-18(14-8-9-14)19-10-2-5-15-12-20-11-3-6-13-4-1-7-16(15)17(13)20/h1,4,7,12,14H,2-3,5-6,8-11H2,(H,19,21)

>  <InChI Key>
LGMKHPBEFOPMIS-UHFFFAOYSA-N

