
 UNII-874OEY3JEJ

 54 57  0  0  0  0  0  0  0  0999 V2000
    1.9053    1.0916   -2.6955 C   0  0  0  0  0
    2.5965    1.6558   -1.4644 C   0  0  0  0  0
    3.8866    0.8921   -1.1438 C   0  0  0  0  0
    4.6187    1.4595    0.0932 C   0  0  0  0  0
    5.8156    0.5644    0.4763 C   0  0  0  0  0
    6.5092    1.0091    1.7680 C   0  0  0  0  0
    7.6407    0.0643    2.1428 C   0  0  0  0  0
    5.0306    2.8499   -0.1633 N   0  0  0  0  0
    6.1633    3.1309   -1.1018 C   0  0  0  0  0
    6.1009    4.5106   -1.7945 C   0  0  0  0  0
    5.7404    5.5216   -0.8262 N   0  0  0  0  0
    5.0177    5.1773    0.2620 C   0  0  0  0  0
    4.6930    6.3509    0.8898 C   0  0  0  0  0
    5.3034    7.3783    0.0844 C   0  0  0  0  0
    5.9873    6.8311   -0.9502 N   0  0  0  0  0
    5.2643    8.8298    0.3069 C   0  0  0  0  0
    5.2203    9.7780   -0.7345 C   0  0  0  0  0
    5.2054   11.1513   -0.4490 C   0  0  0  0  0
    5.2149   11.5911    0.8705 C   0  0  0  0  0
    5.2394   10.6747    1.9145 C   0  0  0  0  0
    5.2682    9.3054    1.6335 C   0  0  0  0  0
    5.1842   13.2766    1.2115 Cl  0  0  0  0  0
    5.1173    9.3626   -2.4144 Cl  0  0  0  0  0
    3.9321    6.3614    2.0130 N   0  0  0  0  0
    3.5242    5.1280    2.4211 C   0  0  0  0  0
    3.8384    3.9153    1.7742 C   0  0  0  0  0
    4.6338    3.9031    0.6332 C   0  0  0  0  0
    2.6699    5.1080    3.6580 C   0  0  0  0  0
    0.9727    1.6323   -2.8867 H   0  0  0  0  0
    1.6638    0.0323   -2.5627 H   0  0  0  0  0
    2.5421    1.1922   -3.5806 H   0  0  0  0  0
    1.9128    1.6001   -0.6095 H   0  0  0  0  0
    2.8098    2.7155   -1.6414 H   0  0  0  0  0
    4.5438    0.9008   -2.0209 H   0  0  0  0  0
    3.6332   -0.1595   -0.9571 H   0  0  0  0  0
    3.9044    1.4032    0.9214 H   0  0  0  0  0
    6.5478    0.5274   -0.3396 H   0  0  0  0  0
    5.4552   -0.4641    0.6109 H   0  0  0  0  0
    5.7832    1.0450    2.5880 H   0  0  0  0  0
    6.9211    2.0172    1.6554 H   0  0  0  0  0
    7.2631   -0.9465    2.3274 H   0  0  0  0  0
    8.1390    0.4124    3.0532 H   0  0  0  0  0
    8.3891    0.0121    1.3453 H   0  0  0  0  0
    6.2183    2.3623   -1.8798 H   0  0  0  0  0
    7.0987    3.0681   -0.5303 H   0  0  0  0  0
    5.3245    4.5234   -2.5674 H   0  0  0  0  0
    7.0653    4.7737   -2.2389 H   0  0  0  0  0
    5.1758   11.8752   -1.2598 H   0  0  0  0  0
    5.2362   11.0121    2.9478 H   0  0  0  0  0
    5.2939    8.6087    2.4705 H   0  0  0  0  0
    3.4516    2.9923    2.1897 H   0  0  0  0  0
    2.3666    4.0923    3.9303 H   0  0  0  0  0
    1.7650    5.7006    3.4918 H   0  0  0  0  0
    3.2258    5.5348    4.4986 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  4 36  1  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 39  1  0  0  0
  6 40  1  0  0  0
  7 41  1  0  0  0
  7 42  1  0  0  0
  7 43  1  0  0  0
  8 27  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 44  1  0  0  0
  9 45  1  0  0  0
 10 11  1  0  0  0
 10 46  1  0  0  0
 10 47  1  0  0  0
 11 15  1  0  0  0
 11 12  1  0  0  0
 12 27  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 24  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 48  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 49  1  0  0  0
 21 50  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 28  1  0  0  0
 26 27  2  0  0  0
 26 51  1  0  0  0
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 28 53  1  0  0  0
 28 54  1  0  0  0
M  END

>  <Chemical Name>
UNII-874OEY3JEJ

>  <PubChem CID>
9888194

>  <Formula>
C22H26Cl2N4

>  <Molecular Weight>
417.378000

>  <IUPAC Name>


>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC(CCC)N1CCN2C3=C(C(=N2)C4=C(C=C(C=C4)Cl)Cl)N=C(C=C31)C

>  <Isomeric SMILES>
CCCC(CCC)N1CCN2C3=C(C(=N2)C4=C(C=C(C=C4)Cl)Cl)N=C(C=C31)C

>  <InChI Std. ID>
InChI=1S/C22H26Cl2N4/c1-4-6-16(7-5-2)27-10-11-28-22-19(27)12-14(3)25-21(22)20(26-28)17-9-8-15(23)13-18(17)24/h8-9,12-13,16H,4-7,10-11H2,1-3H3

>  <InChI Key>
AKLMUGFDGONMAA-UHFFFAOYSA-N

