
 (S)-2-(8-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
    3.0387   -4.3808   -5.5160 C   0  0  0  0  0
    3.9570   -3.7893   -4.4884 C   0  0  0  0  0
    4.6168   -2.5801   -4.7246 C   0  0  0  0  0
    5.4615   -2.0331   -3.7548 C   0  0  0  0  0
    5.6643   -2.6805   -2.5258 C   0  0  0  0  0
    5.0383   -3.9182   -2.3171 C   0  0  0  0  0
    4.1892   -4.4628   -3.2851 C   0  0  0  0  0
    6.5955   -2.0550   -1.4985 C   0  0  0  0  0
    6.0984   -2.2115   -0.0582 C   0  0  0  0  0
    7.9297   -2.5994   -1.6813 N   0  0  0  0  0
    9.0563   -1.9762   -1.1906 C   0  0  0  0  0
    9.0096   -1.0607   -0.3713 O   0  0  0  0  0
   10.3919   -2.5715   -1.6437 C   0  0  0  0  0
   10.2809   -3.2914   -2.9080 N   0  0  0  0  0
   10.3793   -4.6668   -2.9457 C   0  0  0  0  0
   10.5932   -5.3797   -1.9716 O   0  0  0  0  0
   10.1812   -5.2690   -4.2636 C   0  0  0  0  0
    9.8804   -4.4041   -5.3068 C   0  0  0  0  0
    9.6338   -4.9503   -6.5838 C   0  0  0  0  0
    9.7168   -6.3355   -6.7804 C   0  0  0  0  0
   10.0350   -7.1828   -5.7163 C   0  0  0  0  0
   10.2640   -6.6524   -4.4516 C   0  0  0  0  0
    9.3231   -4.0443   -7.5686 O   0  0  0  0  0
    8.9655   -4.5532   -8.8463 C   0  0  0  0  0
    9.8156   -3.0148   -5.1235 N   0  0  0  0  0
   10.0189   -2.5154   -3.9999 N   0  0  0  0  0
    2.7893   -3.6523   -6.2950 H   0  0  0  0  0
    2.0990   -4.6947   -5.0496 H   0  0  0  0  0
    3.5112   -5.2460   -5.9910 H   0  0  0  0  0
    4.4749   -2.0490   -5.6632 H   0  0  0  0  0
    5.9619   -1.0893   -3.9664 H   0  0  0  0  0
    5.2001   -4.4752   -1.3974 H   0  0  0  0  0
    3.7053   -5.4174   -3.0903 H   0  0  0  0  0
    6.6561   -0.9768   -1.6977 H   0  0  0  0  0
    6.1493   -3.2509    0.2837 H   0  0  0  0  0
    5.0617   -1.8688    0.0378 H   0  0  0  0  0
    6.7055   -1.6201    0.6353 H   0  0  0  0  0
    8.0602   -3.2385   -2.4563 H   0  0  0  0  0
   10.7567   -3.2308   -0.8498 H   0  0  0  0  0
   11.1094   -1.7555   -1.7844 H   0  0  0  0  0
    9.5417   -6.7860   -7.7521 H   0  0  0  0  0
   10.0991   -8.2571   -5.8758 H   0  0  0  0  0
   10.5035   -7.3090   -3.6180 H   0  0  0  0  0
    8.6894   -3.7038   -9.4784 H   0  0  0  0  0
    8.0958   -5.2153   -8.7819 H   0  0  0  0  0
    9.8146   -5.0577   -9.3180 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
 18 19  1  0  0  0
 18 25  1  0  0  0
 19 20  2  0  0  0
 19 23  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
 22 43  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-(8-methoxy-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

>  <PubChem CID>
121349694

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

>  <IUPAC Name>
2-(8-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=C3)OC)N=N2

>  <Isomeric SMILES>
CC1=CC=C(C=C1)[C@H](C)NC(=O)CN2C(=O)C3=C(C(=CC=C3)OC)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)15-5-4-6-16(26-3)18(15)21-22-23/h4-10,13H,11H2,1-3H3,(H,20,24)/t13-/m0/s1

>  <InChI Key>
QZHOUHZKMLGYJN-ZDUSSCGKSA-N

