
 CHEMBL437888

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.5873   -0.6906   -0.1190 C   0  0  0  0  0
    2.3403    0.4416    0.6018 C   0  0  0  0  0
    3.2560    1.2562   -0.3100 C   0  0  0  0  0
    4.7269    1.2589    0.0068 C   0  0  0  0  0
    5.6609    0.3175    0.4387 C   0  0  0  0  0
    5.4698   -1.1202    0.8462 C   0  0  0  0  0
    5.7318   -2.1344   -0.2907 C   0  0  0  0  0
    4.5546   -2.9194   -0.7462 N   0  0  0  0  0
    3.4869   -2.0300   -1.2285 C   0  0  0  0  0
    2.3505   -2.0121   -0.1988 C   0  0  0  0  0
    4.9855   -3.8934   -1.7602 C   0  0  0  0  0
    3.8671   -4.8260   -2.1352 C   0  0  0  0  0
    3.2351   -4.7485   -3.5057 C   0  0  0  0  0
    4.1039   -5.9191   -3.1486 C   0  0  0  0  0
    6.9498    0.9653    0.4230 C   0  0  0  0  0
    8.2643    0.5448    0.7209 C   0  0  0  0  0
    9.3286    1.4437    0.5798 C   0  0  0  0  0
    9.1021    2.7489    0.1520 C   0  0  0  0  0
    7.8109    3.1914   -0.1453 C   0  0  0  0  0
    6.7625    2.2752   -0.0002 C   0  0  0  0  0
    5.4212    2.4290   -0.2239 N   0  0  0  0  0
    1.2605   -0.3732   -1.1162 H   0  0  0  0  0
    0.6707   -0.8858    0.4533 H   0  0  0  0  0
    2.8436    0.0770    1.5016 H   0  0  0  0  0
    1.5673    1.1308    0.9706 H   0  0  0  0  0
    2.9058    2.2977   -0.2542 H   0  0  0  0  0
    3.1253    0.9791   -1.3624 H   0  0  0  0  0
    4.5006   -1.2687    1.3194 H   0  0  0  0  0
    6.1828   -1.3346    1.6551 H   0  0  0  0  0
    6.4656   -2.8527    0.0997 H   0  0  0  0  0
    6.2104   -1.6411   -1.1477 H   0  0  0  0  0
    3.0589   -2.3636   -2.1808 H   0  0  0  0  0
    3.8784   -1.0392   -1.4575 H   0  0  0  0  0
    1.6419   -2.8069   -0.4689 H   0  0  0  0  0
    2.6986   -2.2757    0.8066 H   0  0  0  0  0
    5.7862   -4.5147   -1.3395 H   0  0  0  0  0
    5.3957   -3.3898   -2.6447 H   0  0  0  0  0
    3.2428   -5.0871   -1.2872 H   0  0  0  0  0
    3.6241   -4.0299   -4.2190 H   0  0  0  0  0
    2.1648   -4.9043   -3.5763 H   0  0  0  0  0
    3.6186   -6.8748   -2.9839 H   0  0  0  0  0
    5.0796   -5.9918   -3.6147 H   0  0  0  0  0
    8.4569   -0.4710    1.0525 H   0  0  0  0  0
   10.3405    1.1170    0.8057 H   0  0  0  0  0
    9.9401    3.4339    0.0468 H   0  0  0  0  0
    7.6343    4.2084   -0.4796 H   0  0  0  0  0
    5.0029    3.2880   -0.5519 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  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  2  0  0  0
  4 21  1  0  0  0
  5 15  1  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 44  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 21 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL437888

>  <PubChem CID>
11701907

>  <Formula>
C19H26N2

>  <Molecular Weight>
282.431000

>  <IUPAC Name>


>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CCC2=C(CCN(CC1)CC3CC3)C4=CC=CC=C4N2

>  <Isomeric SMILES>
C1CCC2=C(CCN(CC1)CC3CC3)C4=CC=CC=C4N2

>  <InChI Std. ID>
InChI=1S/C19H26N2/c1-2-7-19-17(16-6-3-4-8-18(16)20-19)11-13-21(12-5-1)14-15-9-10-15/h3-4,6,8,15,20H,1-2,5,7,9-14H2

>  <InChI Key>
CNISFKKNHMIEDJ-UHFFFAOYSA-N

