
 CHEMBL291666

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.3810   -0.0713    0.0711 C   0  0  0  0  0
    1.6640    0.0219    0.6771 O   0  0  0  0  0
    2.3689    1.1669    0.4034 C   0  0  0  0  0
    3.7673    1.0519    0.3435 C   0  0  0  0  0
    4.5434    2.1924    0.1033 C   0  0  0  0  0
    3.9490    3.4543   -0.0634 C   0  0  0  0  0
    2.5571    3.5564    0.0296 C   0  0  0  0  0
    1.7714    2.4221    0.2626 C   0  0  0  0  0
    4.7661    4.6339   -0.3456 C   0  0  0  0  0
    4.5797    5.9848   -0.1121 C   0  0  0  0  0
    5.6974    6.6446   -0.6842 C   0  0  0  0  0
    6.5560    5.7602   -1.1816 N   0  0  0  0  0
    5.9637    4.5751   -1.0074 N   0  0  0  0  0
    5.8586    8.0086   -0.7073 N   0  0  0  0  0
    6.7910    8.7735   -1.3432 C   0  0  0  0  0
    6.7244    9.9999   -1.1753 O   0  0  0  0  0
    7.8548    8.1901   -2.2599 C   0  0  0  0  0
    7.4254    8.1494   -3.7104 C   0  0  0  0  0
    6.7712    7.0258   -4.2352 C   0  0  0  0  0
    6.3348    6.9799   -5.5679 C   0  0  0  0  0
    5.6584    5.8582   -6.0746 C   0  0  0  0  0
    5.2294    5.8239   -7.4014 C   0  0  0  0  0
    5.4778    6.9097   -8.2377 C   0  0  0  0  0
    6.1458    8.0315   -7.7460 C   0  0  0  0  0
    6.5779    8.0845   -6.4103 C   0  0  0  0  0
    7.2397    9.2080   -5.8881 C   0  0  0  0  0
    7.6499    9.2436   -4.5518 C   0  0  0  0  0
    4.2814   -0.2130    0.4869 O   0  0  0  0  0
    5.6689   -0.3232    0.7726 C   0  0  0  0  0
    0.4325    0.1287   -1.0047 H   0  0  0  0  0
   -0.3381    0.5919    0.5609 H   0  0  0  0  0
    0.0246   -1.0973    0.2052 H   0  0  0  0  0
    5.6223    2.1058    0.0496 H   0  0  0  0  0
    2.0616    4.5175   -0.0880 H   0  0  0  0  0
    0.6973    2.5486    0.3496 H   0  0  0  0  0
    3.7330    6.4404    0.3813 H   0  0  0  0  0
    6.4242    3.7546   -1.3851 H   0  0  0  0  0
    5.1720    8.5556   -0.2077 H   0  0  0  0  0
    8.2222    7.2201   -1.9236 H   0  0  0  0  0
    8.7378    8.8388   -2.1707 H   0  0  0  0  0
    6.5948    6.1650   -3.5989 H   0  0  0  0  0
    5.4568    5.0036   -5.4330 H   0  0  0  0  0
    4.7039    4.9518   -7.7807 H   0  0  0  0  0
    5.1445    6.8846   -9.2719 H   0  0  0  0  0
    6.3254    8.8697   -8.4149 H   0  0  0  0  0
    7.4339   10.0728   -6.5189 H   0  0  0  0  0
    8.1447   10.1353   -4.1718 H   0  0  0  0  0
    5.8836   -1.3737    0.9907 H   0  0  0  0  0
    5.9404    0.2646    1.6558 H   0  0  0  0  0
    6.2734   -0.0365   -0.0942 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 14  1  0  0  0
 12 13  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 27  1  0  0  0
 18 19  2  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 24 25  2  0  0  0
 24 45  1  0  0  0
 25 26  1  0  0  0
 26 27  2  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
 28 29  1  0  0  0
 29 48  1  0  0  0
 29 49  1  0  0  0
 29 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL291666

>  <PubChem CID>
9952193

>  <Formula>
C23H21N3O3

>  <Molecular Weight>
387.439000

>  <IUPAC Name>
N-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=C(C=C1)C2=CC(=NN2)NC(=O)CC3=CC4=CC=CC=C4C=C3)OC

>  <Isomeric SMILES>
COC1=C(C=C(C=C1)C2=CC(=NN2)NC(=O)CC3=CC4=CC=CC=C4C=C3)OC

>  <InChI Std. ID>
InChI=1S/C23H21N3O3/c1-28-20-10-9-18(13-21(20)29-2)19-14-22(26-25-19)24-23(27)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-11,13-14H,12H2,1-2H3,(H2,24,25,26,27)

>  <InChI Key>
MWDDVVWQCWTAJY-UHFFFAOYSA-N

