
 (S)-N-(1-(4-methoxyphenyl)ethyl)-2-(7-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide

 46 48  0  0  0  0  0  0  0  0999 V2000
    3.9390    1.2529   -5.9673 C   0  0  0  0  0
    4.8189    0.8298   -4.8274 C   0  0  0  0  0
    4.6304   -0.4153   -4.2078 C   0  0  0  0  0
    5.4220   -0.8135   -3.1226 C   0  0  0  0  0
    6.4030    0.0532   -2.6688 C   0  0  0  0  0
    6.6019    1.3065   -3.2562 C   0  0  0  0  0
    5.8018    1.6949   -4.3316 C   0  0  0  0  0
    7.2024   -0.4118   -1.5373 C   0  0  0  0  0
    8.1366    0.2615   -1.1072 O   0  0  0  0  0
    6.8238   -1.6313   -1.0134 N   0  0  0  0  0
    5.8449   -2.4209   -1.5418 N   0  0  0  0  0
    5.1856   -2.0636   -2.5404 N   0  0  0  0  0
    7.5275   -2.1688    0.1369 C   0  0  0  0  0
    8.7654   -2.9159   -0.3386 C   0  0  0  0  0
    8.7153   -4.0650   -0.7731 O   0  0  0  0  0
    9.9289   -2.1765   -0.3030 N   0  0  0  0  0
   11.1787   -2.7004   -0.8295 C   0  0  0  0  0
   11.2414   -2.5543   -2.3515 C   0  0  0  0  0
   12.3601   -2.0325   -0.1503 C   0  0  0  0  0
   13.2661   -2.8046    0.5901 C   0  0  0  0  0
   14.3609   -2.2081    1.2216 C   0  0  0  0  0
   14.5713   -0.8315    1.1347 C   0  0  0  0  0
   13.6779   -0.0539    0.3993 C   0  0  0  0  0
   12.5824   -0.6493   -0.2389 C   0  0  0  0  0
   15.6740   -0.3779    1.8041 O   0  0  0  0  0
   15.8937    1.0267    1.8022 C   0  0  0  0  0
    4.5107    1.8254   -6.7052 H   0  0  0  0  0
    3.1154    1.8705   -5.5960 H   0  0  0  0  0
    3.5193    0.3839   -6.4851 H   0  0  0  0  0
    3.8576   -1.0917   -4.5695 H   0  0  0  0  0
    7.3674    1.9786   -2.8756 H   0  0  0  0  0
    5.9492    2.6749   -4.7817 H   0  0  0  0  0
    6.8807   -2.8566    0.6895 H   0  0  0  0  0
    7.8137   -1.3568    0.8155 H   0  0  0  0  0
    9.8392   -1.1693   -0.2037 H   0  0  0  0  0
   11.2015   -3.7739   -0.6037 H   0  0  0  0  0
   11.1514   -1.5080   -2.6644 H   0  0  0  0  0
   10.4255   -3.1061   -2.8307 H   0  0  0  0  0
   12.1871   -2.9440   -2.7434 H   0  0  0  0  0
   13.1299   -3.8805    0.6828 H   0  0  0  0  0
   15.0547   -2.8232    1.7900 H   0  0  0  0  0
   13.8032    1.0191    0.2989 H   0  0  0  0  0
   11.9024   -0.0183   -0.8078 H   0  0  0  0  0
   16.0905    1.3929    0.7893 H   0  0  0  0  0
   16.7833    1.2268    2.4075 H   0  0  0  0  0
   15.0537    1.5598    2.2600 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  7  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 12  1  0  0  0
  5  8  1  0  0  0
  5  6  1  0  0  0
  6  7  2  0  0  0
  6 31  1  0  0  0
  7 32  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
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 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
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 25 26  1  0  0  0
 26 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
M  END

>  <Chemical Name>
(S)-N-(1-(4-methoxyphenyl)ethyl)-2-(7-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)acetamide

>  <PubChem CID>
121349659

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

>  <IUPAC Name>
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)acetamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC2=C(C=C1)C(=O)N(N=N2)CC(=O)NC(C)C3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CC1=CC2=C(C=C1)C(=O)N(N=N2)CC(=O)N[C@@H](C)C3=CC=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C19H20N4O3/c1-12-4-9-16-17(10-12)21-22-23(19(16)25)11-18(24)20-13(2)14-5-7-15(26-3)8-6-14/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1

>  <InChI Key>
FNEAIYYXBKHWMI-ZDUSSCGKSA-N

