
 (S)-2-(8-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.5723   -4.0430    0.1005 C   0  0  0  0  0
    2.8283   -3.3164   -0.2788 C   0  0  0  0  0
    3.7222   -2.9057    0.7153 C   0  0  0  0  0
    4.8865   -2.2139    0.3770 C   0  0  0  0  0
    5.1811   -1.9148   -0.9637 C   0  0  0  0  0
    4.2845   -2.3324   -1.9560 C   0  0  0  0  0
    3.1177   -3.0236   -1.6159 C   0  0  0  0  0
    6.4533   -1.1718   -1.3389 C   0  0  0  0  0
    6.4480    0.2407   -0.7464 C   0  0  0  0  0
    7.5993   -1.9569   -0.9106 N   0  0  0  0  0
    8.8982   -1.6565   -1.2469 C   0  0  0  0  0
    9.2149   -0.6394   -1.8609 O   0  0  0  0  0
    9.9563   -2.6442   -0.7472 C   0  0  0  0  0
    9.3936   -3.8828   -0.2217 N   0  0  0  0  0
    9.1630   -4.0234    1.1327 C   0  0  0  0  0
    9.3975   -3.1583    1.9719 O   0  0  0  0  0
    8.5865   -5.3020    1.5399 C   0  0  0  0  0
    8.3117   -6.2101    0.5264 C   0  0  0  0  0
    7.7649   -7.4621    0.8761 C   0  0  0  0  0
    7.5065   -7.7588    2.2251 C   0  0  0  0  0
    7.7860   -6.8270    3.2247 C   0  0  0  0  0
    8.3285   -5.5917    2.8840 C   0  0  0  0  0
    7.4537   -8.4830   -0.1847 C   0  0  0  0  0
    8.5561   -5.9169   -0.8232 N   0  0  0  0  0
    9.0662   -4.8265   -1.1503 N   0  0  0  0  0
    1.8141   -4.9373    0.6837 H   0  0  0  0  0
    1.0105   -4.3625   -0.7830 H   0  0  0  0  0
    0.9260   -3.3894    0.6951 H   0  0  0  0  0
    3.5153   -3.1193    1.7616 H   0  0  0  0  0
    5.5665   -1.9067    1.1698 H   0  0  0  0  0
    4.4845   -2.1209   -3.0043 H   0  0  0  0  0
    2.4354   -3.3301   -2.4057 H   0  0  0  0  0
    6.5217   -1.0843   -2.4308 H   0  0  0  0  0
    6.5034    0.2241    0.3476 H   0  0  0  0  0
    5.5370    0.7801   -1.0300 H   0  0  0  0  0
    7.3001    0.8275   -1.1030 H   0  0  0  0  0
    7.4172   -2.9115   -0.6260 H   0  0  0  0  0
   10.5436   -2.1430    0.0292 H   0  0  0  0  0
   10.6185   -2.8946   -1.5832 H   0  0  0  0  0
    7.0848   -8.7230    2.5053 H   0  0  0  0  0
    7.5833   -7.0655    4.2658 H   0  0  0  0  0
    8.5515   -4.8612    3.6584 H   0  0  0  0  0
    7.0622   -9.4081    0.2512 H   0  0  0  0  0
    8.3604   -8.7392   -0.7425 H   0  0  0  0  0
    6.6981   -8.0943   -0.8749 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5  8  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  1  0  0  0
  8 33  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 10 37  1  0  0  0
 11 13  1  0  0  0
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 13 14  1  0  0  0
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 14 25  1  0  0  0
 14 15  1  0  0  0
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 17 22  1  0  0  0
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 20 40  1  0  0  0
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 24 25  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(8-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

>  <PubChem CID>
121349561

>  <Formula>
C19H20N4O2

>  <Molecular Weight>
336.395000

>  <IUPAC Name>
2-(8-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C19H20N4O2/c1-12-7-9-15(10-8-12)14(3)20-17(24)11-23-19(25)16-6-4-5-13(2)18(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1

>  <InChI Key>
UUUQJHYOVJWEKZ-AWEZNQCLSA-N

