
 CHEMBL1974066

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.3409   -1.6311    0.2624 C   0  0  0  0  0
    2.1847   -0.5736    0.9115 C   0  0  0  0  0
    2.9521    0.2923    0.1201 C   0  0  0  0  0
    3.7424    1.3227    0.6772 C   0  0  0  0  0
    3.7838    1.4308    2.0896 C   0  0  0  0  0
    3.0355    0.5361    2.8771 C   0  0  0  0  0
    2.2401   -0.4494    2.2962 C   0  0  0  0  0
    4.6365    2.4445    2.8071 C   0  0  0  0  0
    4.5257    2.2876   -0.2347 C   0  0  0  0  0
    5.0437    1.6681   -1.4829 C   0  0  0  0  0
    5.4403    1.1967   -2.4687 N   0  0  0  0  0
    3.7779    3.5746   -0.5706 C   0  0  0  0  0
    2.6666    3.7144   -1.3094 C   0  0  0  0  0
    2.1070    5.0611   -1.4988 C   0  0  0  0  0
    2.6093    6.1540   -1.0356 N   0  0  0  0  0
    3.7814    6.0393   -0.3300 N   0  0  0  0  0
    4.4224    4.8329   -0.0690 C   0  0  0  0  0
    5.4821    4.7606    0.5524 O   0  0  0  0  0
    4.3717    7.2972    0.1342 C   0  0  0  0  0
    5.2441    7.9720   -0.9094 C   0  0  0  0  0
    6.6036    7.6062   -0.9521 C   0  0  0  0  0
    7.4795    8.2076   -1.8482 C   0  0  0  0  0
    7.0131    9.1868   -2.7186 C   0  0  0  0  0
    5.6638    9.5666   -2.7191 C   0  0  0  0  0
    5.2210   10.5577   -3.6115 C   0  0  0  0  0
    3.8851   10.9502   -3.6449 C   0  0  0  0  0
    2.9731   10.3500   -2.7891 C   0  0  0  0  0
    3.3997    9.3663   -1.8917 C   0  0  0  0  0
    4.7512    8.9523   -1.8208 C   0  0  0  0  0
    1.7962    2.4607   -2.0919 Cl  0  0  0  0  0
    0.7101   -1.1864   -0.5148 H   0  0  0  0  0
    0.6769   -2.1145    0.9866 H   0  0  0  0  0
    1.9778   -2.3992   -0.1868 H   0  0  0  0  0
    2.9201    0.1402   -0.9585 H   0  0  0  0  0
    3.0707    0.5981    3.9637 H   0  0  0  0  0
    1.6725   -1.1217    2.9357 H   0  0  0  0  0
    4.5067    2.3829    3.8935 H   0  0  0  0  0
    4.3583    3.4583    2.5127 H   0  0  0  0  0
    5.6959    2.2658    2.5982 H   0  0  0  0  0
    5.4454    2.5157    0.3163 H   0  0  0  0  0
    1.1728    5.1258   -2.0823 H   0  0  0  0  0
    4.9716    7.1046    1.0329 H   0  0  0  0  0
    3.5674    7.9593    0.4738 H   0  0  0  0  0
    6.9887    6.8478   -0.2718 H   0  0  0  0  0
    8.5268    7.9181   -1.8643 H   0  0  0  0  0
    7.7165    9.6518   -3.4061 H   0  0  0  0  0
    5.9211   11.0353   -4.2940 H   0  0  0  0  0
    3.5596   11.7178   -4.3416 H   0  0  0  0  0
    1.9264   10.6412   -2.8163 H   0  0  0  0  0
    2.6452    8.9151   -1.2526 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7 36  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 12  1  0  0  0
  9 10  1  0  0  0
  9 40  1  0  0  0
 10 11  3  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 41  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 42  1  0  0  0
 19 43  1  0  0  0
 20 21  2  0  0  0
 20 29  1  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 22 23  2  0  0  0
 22 45  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 29  2  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1974066

>  <PubChem CID>
53356639

>  <Formula>
C25H20ClN3O

>  <Molecular Weight>
413.905000

>  <IUPAC Name>
2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-oxopyridazin-4-yl]-2-(2,5-dimethylphenyl)acetonitrile

>  <XlogP>
5.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C)C(C#N)C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)Cl

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)C)C(C#N)C2=C(C=NN(C2=O)CC3=CC=CC4=CC=CC=C43)Cl

>  <InChI Std. ID>
InChI=1S/C25H20ClN3O/c1-16-10-11-17(2)21(12-16)22(13-27)24-23(26)14-28-29(25(24)30)15-19-8-5-7-18-6-3-4-9-20(18)19/h3-12,14,22H,15H2,1-2H3

>  <InChI Key>
BEJCLWNJANQCGE-UHFFFAOYSA-N

