
 CHEMBL2001833

 35 37  0  0  0  0  0  0  0  0999 V2000
   -1.8255    2.1828   -3.4563 C   0  0  0  0  0
   -2.1187    0.8396   -3.6421 C   0  0  0  0  0
   -1.9740   -0.0598   -2.5825 C   0  0  0  0  0
   -1.5342    0.3566   -1.3042 C   0  0  0  0  0
   -1.2342    1.7342   -1.1364 C   0  0  0  0  0
   -1.3848    2.6259   -2.2114 C   0  0  0  0  0
   -0.7883    2.2111    0.1046 C   0  0  0  0  0
   -0.6372    1.3525    1.1880 C   0  0  0  0  0
   -0.9322    0.0025    1.0427 C   0  0  0  0  0
   -1.3760   -0.5159   -0.1899 C   0  0  0  0  0
   -1.7066   -1.9962   -0.2475 C   0  0  0  0  0
   -3.1255   -2.2711    0.0096 N   0  0  0  0  0
   -3.9042   -2.8692   -0.9693 C   0  0  0  0  0
   -3.4846   -3.1982   -2.0755 O   0  0  0  0  0
   -5.3372   -3.1308   -0.6440 C   0  0  0  0  0
   -5.7889   -2.7559    0.5585 C   0  0  0  0  0
   -4.8394   -2.1483    1.5008 C   0  0  0  0  0
   -3.5899   -1.9342    1.2639 N   0  0  0  0  0
   -7.3985   -2.9584    1.1161 Cl  0  0  0  0  0
   -6.1529   -3.8111   -1.7210 C   0  0  0  0  0
   -6.3005   -2.9518   -2.9057 C   0  0  0  0  0
   -6.4756   -2.2494   -3.8139 N   0  0  0  0  0
   -5.6190   -5.1535   -2.0228 C   0  0  0  0  0
   -5.2371   -6.2351   -2.2086 N   0  0  0  0  0
   -1.9377    2.8852   -4.2776 H   0  0  0  0  0
   -2.4610    0.4833   -4.6106 H   0  0  0  0  0
   -2.2107   -1.1007   -2.7847 H   0  0  0  0  0
   -1.1587    3.6826   -2.0851 H   0  0  0  0  0
   -0.5572    3.2657    0.2386 H   0  0  0  0  0
   -0.2980    1.7368    2.1460 H   0  0  0  0  0
   -0.8302   -0.6540    1.9051 H   0  0  0  0  0
   -1.1335   -2.5392    0.5156 H   0  0  0  0  0
   -1.3839   -2.4248   -1.2019 H   0  0  0  0  0
   -5.2406   -1.8704    2.4900 H   0  0  0  0  0
   -7.1724   -3.9847   -1.3551 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 20  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
 20 23  1  0  0  0
 20 21  1  0  0  0
 20 35  1  0  0  0
 21 22  3  0  0  0
 23 24  3  0  0  0
M  END

>  <Chemical Name>
CHEMBL2001833

>  <PubChem CID>
53257013

>  <Formula>
C18H11ClN4O

>  <Molecular Weight>
334.763000

>  <IUPAC Name>
2-[5-chloro-2-(naphthalen-1-ylmethyl)-3-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)Cl)C(C#N)C#N

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

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

>  <InChI Key>
AGEWCPHRCMCJMR-UHFFFAOYSA-N

