
 CHEMBL27251

 38 42  0  0  0  0  0  0  0  0999 V2000
    4.8173    0.3644   -0.7319 C   0  0  0  0  0
    4.8884    1.0763    0.5352 N   0  0  0  0  0
    3.5899    1.6816    0.9098 C   0  0  0  0  0
    3.1600    2.9252    0.0982 C   0  0  0  0  0
    4.2748    3.9211   -0.0350 C   0  0  0  0  0
    5.5794    3.4533    0.0947 C   0  0  0  0  0
    5.9760    2.0825    0.6253 C   0  0  0  0  0
    7.4134    1.6315    0.1226 C   0  0  0  0  0
    8.4419    2.7507    0.1295 C   0  0  0  0  0
    7.9658    4.0411   -0.0273 C   0  0  0  0  0
    6.5900    4.3664   -0.1019 C   0  0  0  0  0
    6.4202    5.7285   -0.3527 C   0  0  0  0  0
    5.1302    6.2068   -0.4754 C   0  0  0  0  0
    4.0591    5.2915   -0.3368 C   0  0  0  0  0
    7.8035    6.3837   -0.4260 C   0  0  0  0  0
    8.7393    5.1925   -0.1815 C   0  0  0  0  0
   10.1121    5.0627   -0.1390 C   0  0  0  0  0
   10.6482    3.7683    0.0364 C   0  0  0  0  0
    9.8252    2.6188    0.1530 C   0  0  0  0  0
    7.9724    7.4191    0.5789 N   0  0  0  0  0
    5.7187   -0.2402   -0.8874 H   0  0  0  0  0
    4.6865    1.0276   -1.5926 H   0  0  0  0  0
    3.9906   -0.3534   -0.7192 H   0  0  0  0  0
    3.6479    1.9625    1.9702 H   0  0  0  0  0
    2.7958    0.9269    0.8567 H   0  0  0  0  0
    2.8432    2.6229   -0.9069 H   0  0  0  0  0
    2.3010    3.3932    0.5941 H   0  0  0  0  0
    6.1087    2.2481    1.7070 H   0  0  0  0  0
    7.3515    1.2852   -0.9170 H   0  0  0  0  0
    7.7655    0.7958    0.7388 H   0  0  0  0  0
    4.9350    7.2563   -0.6680 H   0  0  0  0  0
    3.0400    5.6607   -0.4402 H   0  0  0  0  0
    7.9668    6.7715   -1.4381 H   0  0  0  0  0
   10.7651    5.9206   -0.2447 H   0  0  0  0  0
   11.7293    3.6443    0.0670 H   0  0  0  0  0
   10.2840    1.6384    0.2504 H   0  0  0  0  0
    8.9050    7.8146    0.4921 H   0  0  0  0  0
    7.3142    8.1719    0.3926 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  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
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  4 27  1  0  0  0
  5 14  1  0  0  0
  5  6  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 19  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 31  1  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 15 20  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 34  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL27251

>  <PubChem CID>
10084076

>  <Formula>
C18H18N2

>  <Molecular Weight>
262.356000

>  <IUPAC Name>


>  <XlogP>
1.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCC2=C3C1CC4=C5C3=C(C=C2)C(C5=CC=C4)N

>  <Isomeric SMILES>
CN1CCC2=C3[C@H]1CC4=C5C3=C(C=C2)[C@H](C5=CC=C4)N

>  <InChI Std. ID>
InChI=1S/C18H18N2/c1-20-8-7-10-5-6-13-17-15-11(9-14(20)16(10)17)3-2-4-12(15)18(13)19/h2-6,14,18H,7-9,19H2,1H3/t14-,18+/m1/s1

>  <InChI Key>
DAKGDRVNCPHAPY-KDOFPFPSSA-N

