
 CHEMBL110751

 36 38  0  0  0  0  0  0  0  0999 V2000
   -2.2913    1.0808   -0.1419 C   0  0  0  0  0
   -2.5059   -0.3400    0.3550 C   0  0  0  0  0
   -1.4672   -1.2999   -0.2420 C   0  0  0  0  0
   -0.0475   -0.7597   -0.1213 C   0  0  0  0  0
    0.2315    0.6160    0.0777 C   0  0  0  0  0
   -0.9121    1.5976    0.2580 C   0  0  0  0  0
    1.5833    1.0462    0.1689 C   0  0  0  0  0
    2.6102    0.1054    0.0293 C   0  0  0  0  0
    2.3284   -1.2430   -0.1796 C   0  0  0  0  0
    1.0118   -1.6729   -0.2522 C   0  0  0  0  0
    1.8554    2.4151    0.4059 N   0  0  0  0  0
    3.0958    3.0565    0.4939 C   0  0  0  0  0
    4.1942    2.5151    0.3790 O   0  0  0  0  0
    2.9507    4.5710    0.7503 C   0  0  0  0  0
    3.5018    4.9619    1.9305 F   0  0  0  0  0
    3.5201    5.3278   -0.2260 F   0  0  0  0  0
    1.6352    4.9450    0.8023 F   0  0  0  0  0
   -1.8198   -1.6744   -1.6552 C   0  0  0  0  0
   -2.6345   -2.6678   -2.1587 C   0  0  0  0  0
   -2.6629   -2.6349   -3.5285 N   0  0  0  0  0
   -1.8706   -1.6460   -3.8682 C   0  0  0  0  0
   -1.3325   -1.0367   -2.7728 N   0  0  0  0  0
   -3.0611    1.7428    0.2714 H   0  0  0  0  0
   -2.4023    1.1215   -1.2316 H   0  0  0  0  0
   -3.5252   -0.6681    0.1172 H   0  0  0  0  0
   -2.4207   -0.3472    1.4500 H   0  0  0  0  0
   -1.5169   -2.2195    0.3598 H   0  0  0  0  0
   -0.9373    1.8882    1.3161 H   0  0  0  0  0
   -0.7268    2.5005   -0.3354 H   0  0  0  0  0
    3.6579    0.3811    0.0893 H   0  0  0  0  0
    3.1424   -1.9568   -0.2806 H   0  0  0  0  0
    0.8086   -2.7302   -0.4174 H   0  0  0  0  0
    1.0557    3.0269    0.5349 H   0  0  0  0  0
   -3.2036   -3.4049   -1.6059 H   0  0  0  0  0
   -1.6468   -1.3303   -4.8785 H   0  0  0  0  0
   -0.6786   -0.2653   -2.7833 H   0  0  0  0  0
  1  2  1  0  0  0
  1  6  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 27  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 32  1  0  0  0
 11 12  1  0  0  0
 11 33  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 17  1  0  0  0
 14 16  1  0  0  0
 14 15  1  0  0  0
 18 19  2  0  0  0
 18 22  1  0  0  0
 19 20  1  0  0  0
 19 34  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL110751

>  <PubChem CID>
9944467

>  <Formula>
C15H14F3N3O

>  <Molecular Weight>
309.292000

>  <IUPAC Name>
2,2,2-trifluoro-N-[5-(1H-imidazol-5-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CC(C2=C(C1)C(=CC=C2)NC(=O)C(F)(F)F)C3=CN=CN3

>  <Isomeric SMILES>
C1CC(C2=C(C1)C(=CC=C2)NC(=O)C(F)(F)F)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C15H14F3N3O/c16-15(17,18)14(22)21-12-6-2-3-9-10(12)4-1-5-11(9)13-7-19-8-20-13/h2-3,6-8,11H,1,4-5H2,(H,19,20)(H,21,22)

>  <InChI Key>
WNIQCRWLPXLGQD-UHFFFAOYSA-N

