
 (S)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.7411   -1.4958   -3.3743 C   0  0  0  0  0
    2.9401   -1.3523   -2.4851 C   0  0  0  0  0
    3.2923   -2.3714   -1.5945 C   0  0  0  0  0
    4.3933   -2.2235   -0.7464 C   0  0  0  0  0
    5.1598   -1.0476   -0.7641 C   0  0  0  0  0
    4.7955   -0.0267   -1.6535 C   0  0  0  0  0
    3.6923   -0.1736   -2.4982 C   0  0  0  0  0
    6.3647   -0.8642    0.1415 C   0  0  0  0  0
    5.9741   -0.9041    1.6190 C   0  0  0  0  0
    7.3646   -1.8780   -0.1383 N   0  0  0  0  0
    8.3760   -1.6874   -1.0540 C   0  0  0  0  0
    8.5653   -0.6187   -1.6331 O   0  0  0  0  0
    9.2518   -2.9113   -1.3375 C   0  0  0  0  0
    8.9216   -4.0628   -0.5024 N   0  0  0  0  0
    9.5539   -4.2275    0.7198 C   0  0  0  0  0
   10.4125   -3.4535    1.1243 O   0  0  0  0  0
    9.1168   -5.3950    1.5031 C   0  0  0  0  0
    8.1437   -6.1834    0.8969 C   0  0  0  0  0
    7.6851   -7.3283    1.5609 C   0  0  0  0  0
    8.1812   -7.6722    2.8159 C   0  0  0  0  0
    9.1454   -6.8694    3.4225 C   0  0  0  0  0
    9.6306   -5.7297    2.7699 C   0  0  0  0  0
   10.5381   -4.8859    3.3486 O   0  0  0  0  0
   11.4811   -5.4715    4.2380 C   0  0  0  0  0
    7.5757   -5.8874   -0.3470 N   0  0  0  0  0
    7.9477   -4.8827   -0.9819 N   0  0  0  0  0
    1.5461   -2.5488   -3.6032 H   0  0  0  0  0
    1.9004   -0.9809   -4.3276 H   0  0  0  0  0
    0.8589   -1.0721   -2.8846 H   0  0  0  0  0
    2.7137   -3.2916   -1.5579 H   0  0  0  0  0
    4.6472   -3.0384   -0.0733 H   0  0  0  0  0
    5.3754    0.8934   -1.6996 H   0  0  0  0  0
    3.4301    0.6385   -3.1725 H   0  0  0  0  0
    6.8147    0.1174   -0.0524 H   0  0  0  0  0
    5.5666   -1.8785    1.9108 H   0  0  0  0  0
    5.2219   -0.1414    1.8482 H   0  0  0  0  0
    6.8498   -0.7184    2.2511 H   0  0  0  0  0
    7.1496   -2.8351    0.1088 H   0  0  0  0  0
   10.2955   -2.6235   -1.1740 H   0  0  0  0  0
    9.1251   -3.1918   -2.3890 H   0  0  0  0  0
    6.9258   -7.9529    1.0943 H   0  0  0  0  0
    7.8072   -8.5567    3.3268 H   0  0  0  0  0
    9.4876   -7.1415    4.4167 H   0  0  0  0  0
   12.2805   -4.7428    4.4032 H   0  0  0  0  0
   11.9321   -6.3733    3.8097 H   0  0  0  0  0
   11.0211   -5.6847    5.2078 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  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  4  5  2  0  0  0
  4 31  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 32  1  0  0  0
  7 33  1  0  0  0
  8 10  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 26  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 25  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 42  1  0  0  0
 21 22  2  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 23 24  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

>  <PubChem CID>
121349728

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

>  <IUPAC Name>
2-(5-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=C(C=C1)C(C)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)N=N2

>  <Isomeric SMILES>
CC1=CC=C(C=C1)[C@H](C)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)N=N2

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

>  <InChI Key>
KCBGXCAHBBWRNE-ZDUSSCGKSA-N

