
 CHEMBL242806

 36 38  0  0  0  0  0  0  0  0999 V2000
    5.0159    2.3525    4.8499 C   0  0  0  0  0
    4.3836    2.8053    3.5607 C   0  0  0  0  0
    3.2605    3.2961    3.5250 O   0  0  0  0  0
    5.1603    2.5876    2.4458 N   0  0  0  0  0
    4.7657    3.1082    1.1478 C   0  0  0  0  0
    5.4412    2.3789   -0.0149 C   0  0  0  0  0
    6.9378    2.4865   -0.0075 C   0  0  0  0  0
    7.6799    3.6568   -0.1234 C   0  0  0  0  0
    8.9972    3.3170   -0.0840 N   0  0  0  0  0
   10.1748    4.1635   -0.1898 C   0  0  0  0  0
   11.4109    3.4971    0.4520 C   0  0  0  0  0
   11.6217    2.0322    0.0009 C   0  0  0  0  0
   10.3389    1.2610    0.1139 C   0  0  0  0  0
   10.2375   -0.1274    0.2170 C   0  0  0  0  0
    8.9842   -0.7470    0.2798 C   0  0  0  0  0
    7.7941    0.0010    0.2271 C   0  0  0  0  0
    7.8721    1.4008    0.1001 C   0  0  0  0  0
    9.1342    1.9618    0.0473 C   0  0  0  0  0
    6.0951    2.2154    4.7442 H   0  0  0  0  0
    4.5631    1.4077    5.1590 H   0  0  0  0  0
    4.8429    3.1133    5.6163 H   0  0  0  0  0
    6.1443    2.3810    2.5760 H   0  0  0  0  0
    5.0124    4.1761    1.1410 H   0  0  0  0  0
    3.6777    3.0235    1.0483 H   0  0  0  0  0
    5.0670    2.7908   -0.9602 H   0  0  0  0  0
    5.1456    1.3231    0.0054 H   0  0  0  0  0
    7.3671    4.6872   -0.2354 H   0  0  0  0  0
   10.3394    4.3404   -1.2582 H   0  0  0  0  0
    9.9520    5.1155    0.3025 H   0  0  0  0  0
   12.3074    4.0864    0.2302 H   0  0  0  0  0
   11.2839    3.5093    1.5432 H   0  0  0  0  0
   11.9581    2.0096   -1.0422 H   0  0  0  0  0
   12.3991    1.5714    0.6202 H   0  0  0  0  0
   11.1371   -0.7377    0.2483 H   0  0  0  0  0
    8.9272   -1.8305    0.3634 H   0  0  0  0  0
    6.8330   -0.5025    0.2701 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 17  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  1  0  0  0
  9 18  1  0  0  0
 10 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL242806

>  <PubChem CID>
16743292

>  <Formula>
C15H18N2O

>  <Molecular Weight>
242.322000

>  <IUPAC Name>


>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(=O)NCCC1=CN2CCCC3=CC=CC1=C32

>  <Isomeric SMILES>
CC(=O)NCCC1=CN2CCCC3=CC=CC1=C32

>  <InChI Std. ID>
InChI=1S/C15H18N2O/c1-11(18)16-8-7-13-10-17-9-3-5-12-4-2-6-14(13)15(12)17/h2,4,6,10H,3,5,7-9H2,1H3,(H,16,18)

>  <InChI Key>
RRTLJNFVMKKMAS-UHFFFAOYSA-N

