
 N-(2-chloro-4-methoxyphenethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide

 43 45  0  0  0  0  0  0  0  0999 V2000
    6.3192    8.5979   -8.1019 C   0  0  0  0  0
    5.4950    8.8948   -6.9802 O   0  0  0  0  0
    5.6713    8.1000   -5.8815 C   0  0  0  0  0
    4.5978    8.0700   -4.9909 C   0  0  0  0  0
    4.6416    7.2691   -3.8431 C   0  0  0  0  0
    5.7704    6.4812   -3.5659 C   0  0  0  0  0
    6.8601    6.5530   -4.4534 C   0  0  0  0  0
    6.8148    7.3614   -5.5945 C   0  0  0  0  0
    5.8526    5.5274   -2.3897 C   0  0  0  0  0
    6.9643    5.8532   -1.3901 C   0  0  0  0  0
    6.7664    7.1102   -0.7009 N   0  0  0  0  0
    7.6601    7.5411    0.2577 C   0  0  0  0  0
    8.6531    6.8854    0.5712 O   0  0  0  0  0
    7.4286    8.9523    0.7994 C   0  0  0  0  0
    6.0585    9.4051    0.6074 N   0  0  0  0  0
    5.1136    9.1402    1.5777 C   0  0  0  0  0
    5.3438    8.5708    2.6395 O   0  0  0  0  0
    3.7581    9.5796    1.2636 C   0  0  0  0  0
    2.6932    9.3845    2.1501 C   0  0  0  0  0
    1.4176    9.8129    1.7915 C   0  0  0  0  0
    1.2180   10.4290    0.5564 C   0  0  0  0  0
    2.2944   10.6160   -0.3161 C   0  0  0  0  0
    3.5809   10.1906    0.0314 C   0  0  0  0  0
    4.6302   10.3930   -0.8725 N   0  0  0  0  0
    5.7851   10.0155   -0.5834 N   0  0  0  0  0
    3.2607    7.3021   -2.8070 Cl  0  0  0  0  0
    5.9225    9.1448   -8.9637 H   0  0  0  0  0
    6.2954    7.5295   -8.3484 H   0  0  0  0  0
    7.3453    8.9393   -7.9318 H   0  0  0  0  0
    3.7134    8.6639   -5.2091 H   0  0  0  0  0
    7.7584    5.9681   -4.2691 H   0  0  0  0  0
    7.6878    7.3905   -6.2389 H   0  0  0  0  0
    6.0244    4.5211   -2.7947 H   0  0  0  0  0
    4.9023    5.4656   -1.8519 H   0  0  0  0  0
    7.9463    5.8857   -1.8748 H   0  0  0  0  0
    7.0094    5.0664   -0.6284 H   0  0  0  0  0
    6.0970    7.7839   -1.0625 H   0  0  0  0  0
    8.1086    9.6388    0.2825 H   0  0  0  0  0
    7.6700    8.9518    1.8675 H   0  0  0  0  0
    2.8582    8.8994    3.1103 H   0  0  0  0  0
    0.5813    9.6645    2.4702 H   0  0  0  0  0
    0.2230   10.7629    0.2698 H   0  0  0  0  0
    2.1286   11.0945   -1.2791 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
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  7 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
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M  END

>  <Chemical Name>
N-(2-chloro-4-methoxyphenethyl)-2-(4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide

>  <PubChem CID>
121349737

>  <Formula>
C18H17ClN4O3

>  <Molecular Weight>
372.809000

>  <IUPAC Name>
N-[2-(2-chloro-4-methoxyphenyl)ethyl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC1=CC(=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)Cl

>  <Isomeric SMILES>
COC1=CC(=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2)Cl

>  <InChI Std. ID>
InChI=1S/C18H17ClN4O3/c1-26-13-7-6-12(15(19)10-13)8-9-20-17(24)11-23-18(25)14-4-2-3-5-16(14)21-22-23/h2-7,10H,8-9,11H2,1H3,(H,20,24)

>  <InChI Key>
NCYGXXHWJXKIOW-UHFFFAOYSA-N

