
 CHEMBL109848

 36 38  0  0  0  0  0  0  0  0999 V2000
    1.0647    1.2888    1.3441 C   0  0  0  0  0
    2.5223    1.6725    1.4145 C   0  0  0  0  0
    2.9085    2.5170    2.2134 O   0  0  0  0  0
    3.2868    0.9569    0.5082 N   0  0  0  0  0
    4.6860    1.0278    0.2941 C   0  0  0  0  0
    5.5072    1.8607    1.0631 C   0  0  0  0  0
    6.8862    1.8946    0.8664 C   0  0  0  0  0
    7.4684    1.0961   -0.1076 C   0  0  0  0  0
    6.6774    0.2563   -0.9093 C   0  0  0  0  0
    5.2724    0.2228   -0.7195 C   0  0  0  0  0
    4.4195   -0.7193   -1.5497 C   0  0  0  0  0
    5.1114   -1.3491   -2.7551 C   0  0  0  0  0
    6.5297   -1.7731   -2.4069 C   0  0  0  0  0
    7.3736   -0.5573   -1.9957 C   0  0  0  0  0
    7.7577    0.2706   -3.1952 C   0  0  0  0  0
    8.5352   -0.0277   -4.2968 C   0  0  0  0  0
    8.6183    1.0417   -5.1492 N   0  0  0  0  0
    7.9119    1.9912   -4.5831 C   0  0  0  0  0
    7.3665    1.5741   -3.4039 N   0  0  0  0  0
    0.7193    1.2916    0.3062 H   0  0  0  0  0
    0.4677    2.0128    1.9062 H   0  0  0  0  0
    0.9261    0.2955    1.7793 H   0  0  0  0  0
    2.7772    0.2952   -0.0594 H   0  0  0  0  0
    5.1052    2.4952    1.8466 H   0  0  0  0  0
    7.5035    2.5430    1.4836 H   0  0  0  0  0
    8.5478    1.1335   -0.2476 H   0  0  0  0  0
    4.0737   -1.5233   -0.8872 H   0  0  0  0  0
    3.5367   -0.1894   -1.9262 H   0  0  0  0  0
    4.5323   -2.2150   -3.0964 H   0  0  0  0  0
    5.1246   -0.6369   -3.5891 H   0  0  0  0  0
    6.9804   -2.2972   -3.2583 H   0  0  0  0  0
    6.4947   -2.4935   -1.5785 H   0  0  0  0  0
    8.3050   -0.9543   -1.5662 H   0  0  0  0  0
    9.0364   -0.9604   -4.5226 H   0  0  0  0  0
    7.7615    2.9892   -4.9724 H   0  0  0  0  0
    6.7919    2.1330   -2.7865 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 19  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL109848

>  <PubChem CID>
9813756

>  <Formula>
C15H17N3O

>  <Molecular Weight>
255.321000

>  <IUPAC Name>
N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NC1=CC=CC2=C1CCCC2C3=CN=CN3

>  <Isomeric SMILES>
CC(=O)NC1=CC=CC2=C1CCCC2C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C15H17N3O/c1-10(19)18-14-7-3-4-11-12(14)5-2-6-13(11)15-8-16-9-17-15/h3-4,7-9,13H,2,5-6H2,1H3,(H,16,17)(H,18,19)

>  <InChI Key>
SXPWQXVCFMMCEE-UHFFFAOYSA-N

