
 CHEMBL165529

 38 41  0  0  0  0  0  0  0  0999 V2000
    1.5700    1.4370   -0.1023 C   0  0  0  0  0
    0.3707    1.0558    0.7653 C   0  0  0  0  0
   -0.3199   -0.2302    0.2850 C   0  0  0  0  0
    0.6833   -1.3803    0.1826 C   0  0  0  0  0
    1.8721   -1.0244   -0.7229 C   0  0  0  0  0
    2.5634    0.2807   -0.2882 C   0  0  0  0  0
    3.6390    0.6724   -1.3193 C   0  0  0  0  0
    4.4606   -0.4831   -1.8376 C   0  0  0  0  0
    5.5702   -0.2099   -2.6520 C   0  0  0  0  0
    6.3315   -1.2473   -3.1891 C   0  0  0  0  0
    5.9965   -2.5693   -2.9127 C   0  0  0  0  0
    4.8919   -2.8545   -2.1109 C   0  0  0  0  0
    4.1034   -1.8195   -1.5872 C   0  0  0  0  0
    2.9045   -2.1615   -0.7385 C   0  0  0  0  0
   -1.5435   -0.5852    1.1753 C   0  0  0  0  0
   -2.7566   -0.0858    0.4513 N   0  0  0  0  0
   -2.3100    0.1783   -0.7367 C   0  0  0  0  0
   -0.9910   -0.0126   -0.9898 N   0  0  0  0  0
    1.2097    1.7823   -1.0789 H   0  0  0  0  0
    2.0845    2.2917    0.3534 H   0  0  0  0  0
    0.7163    0.9166    1.7978 H   0  0  0  0  0
   -0.3358    1.8952    0.7817 H   0  0  0  0  0
    1.0486   -1.6334    1.1868 H   0  0  0  0  0
    0.1927   -2.2816   -0.2090 H   0  0  0  0  0
    1.4919   -0.8935   -1.7465 H   0  0  0  0  0
    3.0573    0.1020    0.6783 H   0  0  0  0  0
    3.1591    1.1423   -2.1880 H   0  0  0  0  0
    4.3046    1.4198   -0.8694 H   0  0  0  0  0
    5.8401    0.8188   -2.8809 H   0  0  0  0  0
    7.1837   -1.0231   -3.8248 H   0  0  0  0  0
    6.5909   -3.3792   -3.3266 H   0  0  0  0  0
    4.6396   -3.8927   -1.9062 H   0  0  0  0  0
    2.4278   -3.0718   -1.1234 H   0  0  0  0  0
    3.2540   -2.3762    0.2796 H   0  0  0  0  0
   -1.4858   -0.1215    2.1656 H   0  0  0  0  0
   -1.6538   -1.6676    1.3083 H   0  0  0  0  0
   -2.9160    0.5798   -1.5648 H   0  0  0  0  0
   -0.5468    0.5651   -1.6924 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 22  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 15  1  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 14 13  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 37  1  0  0  0
 18 38  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL165529

>  <PubChem CID>
10847653

>  <Formula>
C16H20N2

>  <Molecular Weight>
240.350000

>  <IUPAC Name>
(4'aS,5R,9'aR)-spiro[1,4-dihydroimidazole-5,3'-2,4,4a,9,9a,10-hexahydro-1H-anthracene]

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2(CC3C1CC4=CC=CC=C4C3)CN=CN2

>  <Isomeric SMILES>
C1C[C@@]2(C[C@H]3[C@H]1CC4=CC=CC=C4C3)CN=CN2

>  <InChI Std. ID>
InChI=1S/C16H20N2/c1-2-4-13-8-15-9-16(10-17-11-18-16)6-5-14(15)7-12(13)3-1/h1-4,11,14-15H,5-10H2,(H,17,18)/t14-,15+,16-/m1/s1

>  <InChI Key>
BAMMEMQIAYAJNE-OWCLPIDISA-N

