
 CHEMBL1972164

 35 37  0  0  0  0  0  0  0  0999 V2000
   -1.8295    1.2836   -3.8234 C   0  0  0  0  0
   -1.9086   -0.1016   -3.8209 C   0  0  0  0  0
   -1.7582   -0.8075   -2.6239 C   0  0  0  0  0
   -1.5203   -0.1508   -1.3936 C   0  0  0  0  0
   -1.4514    1.2675   -1.4174 C   0  0  0  0  0
   -1.6049    1.9627   -2.6283 C   0  0  0  0  0
   -1.2311    1.9810   -0.2308 C   0  0  0  0  0
   -1.0758    1.3193    0.9820 C   0  0  0  0  0
   -1.1321   -0.0685    1.0221 C   0  0  0  0  0
   -1.3459   -0.8222   -0.1490 C   0  0  0  0  0
   -1.4029   -2.3332   -0.0084 C   0  0  0  0  0
   -2.7606   -2.8179    0.2420 N   0  0  0  0  0
   -3.2364   -2.8812    1.5462 C   0  0  0  0  0
   -2.5548   -2.6274    2.5375 O   0  0  0  0  0
   -4.6698   -3.2838    1.6873 C   0  0  0  0  0
   -5.4268   -3.6050    0.6283 C   0  0  0  0  0
   -4.7197   -3.5474   -0.6686 C   0  0  0  0  0
   -3.4979   -3.1817   -0.8600 N   0  0  0  0  0
   -6.8772   -4.0216    0.6438 C   0  0  0  0  0
   -7.6624   -3.2317   -0.3197 C   0  0  0  0  0
   -8.2618   -2.6012   -1.0877 N   0  0  0  0  0
   -6.9741   -5.4667    0.3873 C   0  0  0  0  0
   -7.0263   -6.6125    0.1988 N   0  0  0  0  0
   -5.2932   -3.3259    3.3029 Cl  0  0  0  0  0
   -1.9452    1.8368   -4.7514 H   0  0  0  0  0
   -2.0892   -0.6393   -4.7479 H   0  0  0  0  0
   -1.8391   -1.8903   -2.6716 H   0  0  0  0  0
   -1.5500    3.0492   -2.6492 H   0  0  0  0  0
   -1.1812    3.0677   -0.2423 H   0  0  0  0  0
   -0.9110    1.8843    1.8956 H   0  0  0  0  0
   -1.0102   -0.5688    1.9822 H   0  0  0  0  0
   -0.7542   -2.6461    0.8198 H   0  0  0  0  0
   -0.9964   -2.8360   -0.8928 H   0  0  0  0  0
   -5.3002   -3.8491   -1.5574 H   0  0  0  0  0
   -7.3229   -3.8322    1.6273 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 10  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 28  1  0  0  0
  7  8  2  0  0  0
  7 29  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 11  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 11 33  1  0  0  0
 12 18  1  0  0  0
 12 13  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 24  1  0  0  0
 16 17  1  0  0  0
 16 19  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 19 22  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 20 21  3  0  0  0
 22 23  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL1972164

>  <PubChem CID>
53257014

>  <Formula>
C18H11ClN4O

>  <Molecular Weight>
334.763000

>  <IUPAC Name>
2-[5-chloro-1-(naphthalen-1-ylmethyl)-6-oxopyridazin-4-yl]propanedinitrile

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)C(C#N)C#N)Cl

>  <Isomeric SMILES>
C1=CC=C2C(=C1)C=CC=C2CN3C(=O)C(=C(C=N3)C(C#N)C#N)Cl

>  <InChI Std. ID>
InChI=1S/C18H11ClN4O/c19-17-16(14(8-20)9-21)10-22-23(18(17)24)11-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,10,14H,11H2

>  <InChI Key>
BACODSFEYKJLEP-UHFFFAOYSA-N

