
 SCHEMBL16655666

 55 59  0  0  0  0  0  0  0  0999 V2000
    8.4889    3.6289    7.1600 C   0  0  0  0  0
    8.1596    2.9562    5.8603 C   0  0  0  0  0
    7.3072    3.5809    4.9410 C   0  0  0  0  0
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    7.5447    1.7317    3.3833 C   0  0  0  0  0
    8.3775    1.0937    4.3268 C   0  0  0  0  0
    8.6890    1.7052    5.5445 C   0  0  0  0  0
    7.3182    1.0631    2.1536 N   0  0  0  0  0
    6.9712    1.7174    1.0137 N   0  0  0  0  0
    6.9331    0.7378    0.1101 C   0  0  0  0  0
    7.3005   -0.4665    0.7066 C   0  0  0  0  0
    7.5962   -0.2644    1.9918 N   0  0  0  0  0
    5.8870    3.6567    2.9714 C   0  0  0  0  0
    4.8172    3.8128    3.5499 O   0  0  0  0  0
    6.1433    4.1058    1.6947 N   0  0  0  0  0
    5.0277    4.4841    0.8306 C   0  0  0  0  0
    4.3929    5.8176    1.2457 C   0  0  0  0  0
    5.0982    6.9001    0.4293 C   0  0  0  0  0
    6.0362    6.1739   -0.5300 C   0  0  0  0  0
    5.5066    4.7368   -0.6119 C   0  0  0  0  0
    4.3878    4.6245   -1.6657 C   0  0  0  0  0
    3.8782    3.2200   -1.8591 C   0  0  0  0  0
    4.5866    2.3896   -2.6641 N   0  0  0  0  0
    4.0886    1.1486   -2.8518 C   0  0  0  0  0
    4.7502    0.2579   -3.6886 C   0  0  0  0  0
    4.2704   -1.0370   -3.9014 C   0  0  0  0  0
    3.1097   -1.4501   -3.2629 C   0  0  0  0  0
    2.4325   -0.5653   -2.4243 C   0  0  0  0  0
    2.8973    0.7276   -2.2110 C   0  0  0  0  0
    2.2067    1.5510   -1.4039 N   0  0  0  0  0
    2.7088    2.7954   -1.2457 C   0  0  0  0  0
    7.5751    3.9766    7.6523 H   0  0  0  0  0
    9.1501    4.4832    6.9829 H   0  0  0  0  0
    8.9931    2.9428    7.8488 H   0  0  0  0  0
    6.8477    4.5358    5.2006 H   0  0  0  0  0
    8.8116    0.1154    4.1191 H   0  0  0  0  0
    9.3434    1.1892    6.2445 H   0  0  0  0  0
    6.6570    0.9525   -0.9136 H   0  0  0  0  0
    7.3807   -1.4561    0.2792 H   0  0  0  0  0
    6.8852    3.5804    1.2333 H   0  0  0  0  0
    4.2969    3.6721    0.8971 H   0  0  0  0  0
    4.4592    6.0273    2.3171 H   0  0  0  0  0
    3.3271    5.8128    0.9852 H   0  0  0  0  0
    4.3597    7.4932   -0.1219 H   0  0  0  0  0
    5.6544    7.5890    1.0736 H   0  0  0  0  0
    6.0906    6.6717   -1.5033 H   0  0  0  0  0
    7.0496    6.1707   -0.1094 H   0  0  0  0  0
    6.3211    4.0574   -0.8928 H   0  0  0  0  0
    4.7777    4.9678   -2.6337 H   0  0  0  0  0
    3.5495    5.2924   -1.4342 H   0  0  0  0  0
    5.6555    0.5836   -4.1944 H   0  0  0  0  0
    4.8009   -1.7139   -4.5663 H   0  0  0  0  0
    2.7213   -2.4554   -3.4179 H   0  0  0  0  0
    1.5197   -0.8829   -1.9258 H   0  0  0  0  0
    2.1319    3.4480   -0.5989 H   0  0  0  0  0
  1  2  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  1 34  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  4  5  2  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 12  1  0  0  0
  9 10  2  0  0  0
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 16 17  1  0  0  0
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 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 21 22  1  0  0  0
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 21 50  1  0  0  0
 22 31  1  0  0  0
 22 23  2  0  0  0
 23 24  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL16655666

>  <PubChem CID>
118025917

>  <Formula>
C24H24N6O

>  <Molecular Weight>
412.497000

>  <IUPAC Name>
5-methyl-N-[2-(quinoxalin-2-ylmethyl)cyclopentyl]-2-(triazol-2-yl)benzamide

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)NC3CCCC3CC4=NC5=CC=CC=C5N=C4

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)NC3CCCC3CC4=NC5=CC=CC=C5N=C4

>  <InChI Std. ID>
InChI=1S/C24H24N6O/c1-16-9-10-23(30-26-11-12-27-30)19(13-16)24(31)29-20-8-4-5-17(20)14-18-15-25-21-6-2-3-7-22(21)28-18/h2-3,6-7,9-13,15,17,20H,4-5,8,14H2,1H3,(H,29,31)

>  <InChI Key>
AERPGOZLUPBGBA-UHFFFAOYSA-N

