
 CHEMBL2314295

 51 54  0  0  0  0  0  0  0  0999 V2000
    3.8255    0.0820    1.3239 C   0  0  0  0  0
    3.2911    1.5080    1.1718 C   0  0  0  0  0
    1.8865    1.5863    1.7708 C   0  0  0  0  0
    4.0781    2.4735    1.8856 O   0  0  0  0  0
    5.3987    2.5832    1.5516 C   0  0  0  0  0
    6.2555    2.8953    2.6071 C   0  0  0  0  0
    7.6356    2.8892    2.4153 C   0  0  0  0  0
    8.1525    2.5761    1.1582 C   0  0  0  0  0
    7.3002    2.4145    0.0685 C   0  0  0  0  0
    5.9164    2.4027    0.2685 C   0  0  0  0  0
    9.5154    2.4739    1.0627 O   0  0  0  0  0
   10.1108    1.3528    0.4657 C   0  0  0  0  0
   11.3988    1.4167    0.1216 C   0  0  0  0  0
   12.0135    0.2572   -0.5289 C   0  0  0  0  0
   11.4100   -0.8445   -0.8223 N   0  0  0  0  0
   10.0799   -0.9359   -0.4676 N   0  0  0  0  0
    9.4067    0.0299    0.2786 C   0  0  0  0  0
    8.2996   -0.1898    0.7703 O   0  0  0  0  0
    9.4253   -2.2148   -0.7550 C   0  0  0  0  0
    9.3088   -2.4940   -2.2436 C   0  0  0  0  0
   10.3628   -3.2011   -2.8530 C   0  0  0  0  0
   10.3483   -3.4804   -4.2131 C   0  0  0  0  0
    9.2765   -3.0572   -4.9914 C   0  0  0  0  0
    8.2070   -2.3496   -4.4230 C   0  0  0  0  0
    7.1331   -1.9391   -5.2336 C   0  0  0  0  0
    6.0571   -1.2387   -4.6998 C   0  0  0  0  0
    6.0437   -0.9295   -3.3457 C   0  0  0  0  0
    7.1019   -1.3279   -2.5251 C   0  0  0  0  0
    8.2082   -2.0501   -3.0343 C   0  0  0  0  0
   12.4014    2.7897    0.3742 Cl  0  0  0  0  0
    4.7254   -0.0737    0.7235 H   0  0  0  0  0
    3.0861   -0.6583    0.9934 H   0  0  0  0  0
    4.0949   -0.1320    2.3651 H   0  0  0  0  0
    3.2170    1.7859    0.1144 H   0  0  0  0  0
    1.9038    1.3431    2.8393 H   0  0  0  0  0
    1.1993    0.8996    1.2673 H   0  0  0  0  0
    1.4896    2.6026    1.6856 H   0  0  0  0  0
    5.8476    3.0930    3.5958 H   0  0  0  0  0
    8.3005    3.0848    3.2511 H   0  0  0  0  0
    7.6955    2.2322   -0.9261 H   0  0  0  0  0
    5.2704    2.2127   -0.5807 H   0  0  0  0  0
   13.0788    0.3548   -0.7961 H   0  0  0  0  0
    8.4411   -2.2840   -0.2795 H   0  0  0  0  0
   10.0235   -2.9997   -0.2733 H   0  0  0  0  0
   11.2153   -3.5247   -2.2575 H   0  0  0  0  0
   11.1730   -4.0224   -4.6670 H   0  0  0  0  0
    9.2840   -3.2831   -6.0554 H   0  0  0  0  0
    7.1317   -2.1711   -6.2977 H   0  0  0  0  0
    5.2351   -0.9351   -5.3393 H   0  0  0  0  0
    5.2033   -0.3867   -2.9210 H   0  0  0  0  0
    7.0419   -1.0643   -1.4720 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  3 37  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  7  8  2  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 40  1  0  0  0
 10 41  1  0  0  0
 11 12  1  0  0  0
 12 17  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 29  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 26 27  2  0  0  0
 26 49  1  0  0  0
 27 28  1  0  0  0
 27 50  1  0  0  0
 28 29  2  0  0  0
 28 51  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2314295

>  <PubChem CID>
51003731

>  <Formula>
C24H21ClN2O3

>  <Molecular Weight>
420.893000

>  <IUPAC Name>
5-chloro-2-(naphthalen-1-ylmethyl)-4-(4-propan-2-yloxyphenoxy)pyridazin-3-one

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC(C)OC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)Cl

>  <Isomeric SMILES>
CC(C)OC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)Cl

>  <InChI Std. ID>
InChI=1S/C24H21ClN2O3/c1-16(2)29-19-10-12-20(13-11-19)30-23-22(25)14-26-27(24(23)28)15-18-8-5-7-17-6-3-4-9-21(17)18/h3-14,16H,15H2,1-2H3

>  <InChI Key>
AJAMYCGPMGOZMX-UHFFFAOYSA-N

