
 (S)-2-(7-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
    8.3746   -8.2584   -3.4019 C   0  0  0  0  0
    8.5972   -7.0809   -2.4999 C   0  0  0  0  0
    9.8624   -6.4954   -2.3954 C   0  0  0  0  0
   10.0602   -5.3828   -1.5753 C   0  0  0  0  0
    8.9932   -4.8229   -0.8520 C   0  0  0  0  0
    7.7239   -5.4027   -0.9746 C   0  0  0  0  0
    7.5280   -6.5187   -1.7933 C   0  0  0  0  0
    9.1987   -3.6011    0.0297 C   0  0  0  0  0
   10.1398   -3.9307    1.1926 C   0  0  0  0  0
    9.6912   -2.5069   -0.7901 N   0  0  0  0  0
    9.8471   -1.2173   -0.3395 C   0  0  0  0  0
    9.5920   -0.8741    0.8131 O   0  0  0  0  0
   10.3946   -0.2193   -1.3665 C   0  0  0  0  0
   10.5787   -0.8047   -2.6901 N   0  0  0  0  0
   11.7637   -1.4419   -3.0032 C   0  0  0  0  0
   12.7295   -1.5243   -2.2547 O   0  0  0  0  0
   11.7976   -2.0855   -4.3126 C   0  0  0  0  0
   10.6599   -1.9553   -5.0903 C   0  0  0  0  0
   10.6421   -2.5718   -6.3456 C   0  0  0  0  0
   11.7298   -3.3286   -6.7956 C   0  0  0  0  0
   12.8688   -3.4424   -5.9980 C   0  0  0  0  0
   12.9058   -2.8184   -4.7499 C   0  0  0  0  0
   11.5719   -3.8840   -8.0353 O   0  0  0  0  0
   12.3673   -5.0321   -8.3103 C   0  0  0  0  0
    9.5280   -1.2508   -4.6656 N   0  0  0  0  0
    9.5006   -0.7432   -3.5252 N   0  0  0  0  0
    9.2962   -8.8364   -3.5283 H   0  0  0  0  0
    8.0355   -7.9179   -4.3850 H   0  0  0  0  0
    7.6233   -8.9342   -2.9799 H   0  0  0  0  0
   10.7053   -6.9042   -2.9481 H   0  0  0  0  0
   11.0569   -4.9504   -1.5046 H   0  0  0  0  0
    6.8744   -4.9898   -0.4345 H   0  0  0  0  0
    6.5319   -6.9486   -1.8745 H   0  0  0  0  0
    8.2367   -3.2767    0.4459 H   0  0  0  0  0
   11.1574   -4.1418    0.8451 H   0  0  0  0  0
    9.7847   -4.8058    1.7485 H   0  0  0  0  0
   10.2077   -3.0979    1.8994 H   0  0  0  0  0
    9.6625   -2.6357   -1.7942 H   0  0  0  0  0
   11.3552    0.1524   -0.9947 H   0  0  0  0  0
    9.6944    0.6190   -1.4450 H   0  0  0  0  0
    9.7604   -2.4781   -6.9759 H   0  0  0  0  0
   13.7432   -3.9962   -6.3253 H   0  0  0  0  0
   13.7898   -2.9055   -4.1218 H   0  0  0  0  0
   12.0199   -5.4586   -9.2564 H   0  0  0  0  0
   12.2430   -5.7948   -7.5338 H   0  0  0  0  0
   13.4208   -4.7632   -8.4343 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 22  1  0  0  0
 17 18  2  0  0  0
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 19 20  2  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
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 22 43  1  0  0  0
 23 24  1  0  0  0
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 24 45  1  0  0  0
 24 46  1  0  0  0
 25 26  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(7-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

>  <PubChem CID>
121349745

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

>  <IUPAC Name>
2-(7-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=C(C=C3)OC)N=N2

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

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

>  <InChI Key>
BFLNIJPZEKHHMD-ZDUSSCGKSA-N

