
 CHEMBL2314291

 48 51  0  0  0  0  0  0  0  0999 V2000
    4.5125    5.6800   -2.8467 C   0  0  0  0  0
    5.8928    5.8706   -3.4500 C   0  0  0  0  0
    6.8197    6.2782   -2.4429 O   0  0  0  0  0
    7.4414    5.3026   -1.7161 C   0  0  0  0  0
    7.7818    5.6566   -0.4082 C   0  0  0  0  0
    8.4630    4.7585    0.4192 C   0  0  0  0  0
    8.8269    3.5019   -0.0633 C   0  0  0  0  0
    8.4823    3.1435   -1.3702 C   0  0  0  0  0
    7.8030    4.0462   -2.1962 C   0  0  0  0  0
    9.5295    2.7018    0.8141 O   0  0  0  0  0
   10.1482    1.5732    0.2947 C   0  0  0  0  0
   11.3776    1.5958   -0.2259 C   0  0  0  0  0
   11.8669    0.3625   -0.8477 C   0  0  0  0  0
   11.2015   -0.7411   -0.9548 N   0  0  0  0  0
    9.9383   -0.7658   -0.3916 N   0  0  0  0  0
    9.3910    0.2898    0.3312 C   0  0  0  0  0
    8.3351    0.2217    0.9582 O   0  0  0  0  0
    9.1681   -1.9980   -0.5749 C   0  0  0  0  0
    8.4273   -2.0219   -1.9036 C   0  0  0  0  0
    9.1668   -2.3952   -3.0435 C   0  0  0  0  0
    8.5753   -2.4437   -4.3004 C   0  0  0  0  0
    7.2328   -2.1120   -4.4441 C   0  0  0  0  0
    6.4645   -1.7241   -3.3380 C   0  0  0  0  0
    5.1119   -1.3884   -3.5175 C   0  0  0  0  0
    4.3191   -0.9946   -2.4437 C   0  0  0  0  0
    4.8709   -0.9351   -1.1723 C   0  0  0  0  0
    6.2129   -1.2720   -0.9778 C   0  0  0  0  0
    7.0516   -1.6716   -2.0451 C   0  0  0  0  0
   12.3845    2.9817   -0.2992 Cl  0  0  0  0  0
    3.7911    5.3875   -3.6154 H   0  0  0  0  0
    4.1694    6.6089   -2.3796 H   0  0  0  0  0
    4.5244    4.9135   -2.0657 H   0  0  0  0  0
    5.8476    6.6850   -4.1822 H   0  0  0  0  0
    6.2067    4.9852   -4.0086 H   0  0  0  0  0
    7.5130    6.6395   -0.0295 H   0  0  0  0  0
    8.7170    5.0484    1.4351 H   0  0  0  0  0
    8.7292    2.1715   -1.7859 H   0  0  0  0  0
    7.6005    3.7379   -3.2159 H   0  0  0  0  0
   12.8783    0.4049   -1.2800 H   0  0  0  0  0
    8.4889   -2.1493    0.2691 H   0  0  0  0  0
    9.8680   -2.8431   -0.5331 H   0  0  0  0  0
   10.2216   -2.6480   -2.9481 H   0  0  0  0  0
    9.1600   -2.7380   -5.1676 H   0  0  0  0  0
    6.7870   -2.1577   -5.4352 H   0  0  0  0  0
    4.6614   -1.4312   -4.5070 H   0  0  0  0  0
    3.2754   -0.7357   -2.5983 H   0  0  0  0  0
    4.2643   -0.6258   -0.3250 H   0  0  0  0  0
    6.5880   -1.2078    0.0398 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
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 38  1  0  0  0
 10 11  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 13 14  2  0  0  0
 13 39  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 18 41  1  0  0  0
 19 20  2  0  0  0
 19 28  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 22 44  1  0  0  0
 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 45  1  0  0  0
 25 26  2  0  0  0
 25 46  1  0  0  0
 26 27  1  0  0  0
 26 47  1  0  0  0
 27 28  2  0  0  0
 27 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2314291

>  <PubChem CID>
50904434

>  <Formula>
C23H19ClN2O3

>  <Molecular Weight>
406.866000

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

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)Cl

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)OC2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)Cl

>  <InChI Std. ID>
InChI=1S/C23H19ClN2O3/c1-2-28-18-10-12-19(13-11-18)29-22-21(24)14-25-26(23(22)27)15-17-8-5-7-16-6-3-4-9-20(16)17/h3-14H,2,15H2,1H3

>  <InChI Key>
AIBIJJOISCHDJF-UHFFFAOYSA-N

