
 CHEMBL2205816

 41 47  0  0  0  0  0  0  0  0999 V2000
   -2.1622   -0.0245   -1.2745 C   0  0  0  0  0
   -1.6476    1.1073   -0.0405 C   0  0  0  0  0
   -1.7092    0.1093    0.9939 C   0  0  0  0  0
   -1.3034   -1.3379    0.4959 C   0  0  0  0  0
   -1.1195   -1.2324   -0.9807 C   0  0  0  0  0
    0.4442   -0.6867   -0.9154 C   0  0  0  0  0
    0.2172    0.8963    0.4342 C   0  0  0  0  0
    1.2677    1.3313   -0.4218 C   0  0  0  0  0
   -0.3754    0.7698   -0.1261 C   0  0  0  0  0
    0.1370   -1.0028    0.8571 C   0  0  0  0  0
    1.3930   -1.1000    0.0613 C   0  0  0  0  0
    2.2352    0.1383   -0.1013 N   0  0  0  0  0
    3.1009    0.3488    1.0717 C   0  0  0  0  0
    4.1041    1.4918    0.8675 C   0  0  0  0  0
    5.0241    1.6218    2.0552 C   0  0  0  0  0
    6.2370    0.9383    2.0905 C   0  0  0  0  0
    7.0535    1.0771    3.2092 C   0  0  0  0  0
    6.6390    1.8869    4.2592 C   0  0  0  0  0
    5.4156    2.5244    4.1476 C   0  0  0  0  0
    4.6009    2.4069    3.0760 N   0  0  0  0  0
    1.9743   -2.3316   -0.1659 O   0  0  0  0  0
   -3.1953   -0.3289   -1.0679 H   0  0  0  0  0
   -2.0671    0.3893   -2.2838 H   0  0  0  0  0
   -2.1583    2.0711    0.1194 H   0  0  0  0  0
   -1.6081    0.3635    2.0538 H   0  0  0  0  0
   -1.7685   -2.2010    0.9672 H   0  0  0  0  0
   -1.2541   -2.1462   -1.5595 H   0  0  0  0  0
    0.8081   -0.4032   -1.9247 H   0  0  0  0  0
    0.5016    0.9266    1.5718 H   0  0  0  0  0
    1.5292    2.3210   -0.0377 H   0  0  0  0  0
   -0.4328    1.0226   -1.3997 H   0  0  0  0  0
    0.3104   -1.0015    1.9476 H   0  0  0  0  0
    3.6730   -0.5738    1.2391 H   0  0  0  0  0
    2.5246    0.5147    1.9888 H   0  0  0  0  0
    3.5864    2.4484    0.7355 H   0  0  0  0  0
    4.6944    1.3291   -0.0429 H   0  0  0  0  0
    6.5458    0.3082    1.2625 H   0  0  0  0  0
    8.0060    0.5575    3.2599 H   0  0  0  0  0
    7.2530    2.0178    5.1427 H   0  0  0  0  0
    5.0455    3.1672    4.9412 H   0  0  0  0  0
    2.7332   -2.1293   -0.7385 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3  9  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 35  1  0  0  0
 14 36  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 17 18  2  0  0  0
 17 38  1  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 21 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2205816

>  <PubChem CID>
71452384

>  <Formula>
C18H20N2O

>  <Molecular Weight>
280.371000

>  <IUPAC Name>


>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C2C3C4C1C5C2C6C3C4C5(N6CCC7=CC=CC=N7)O

>  <Isomeric SMILES>
C1C2C3C4C1C5C2C6C3C4C5(N6CCC7=CC=CC=N7)O

>  <InChI Std. ID>
InChI=1S/C18H20N2O/c21-18-15-10-7-9-11-12(10)16(18)14(11)17(13(9)15)20(18)6-4-8-3-1-2-5-19-8/h1-3,5,9-17,21H,4,6-7H2

>  <InChI Key>
ABONQAUMSMWLEK-UHFFFAOYSA-N

