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

 46 48  0  0  0  0  0  0  0  0999 V2000
    1.2006    0.2081    0.4396 C   0  0  0  0  0
    2.4001   -0.0213   -0.4821 C   0  0  0  0  0
    2.5890   -1.5104   -0.8378 C   0  0  0  0  0
    2.9239   -2.4034    0.3349 C   0  0  0  0  0
    2.1016   -3.4910    0.6582 C   0  0  0  0  0
    2.4074   -4.3238    1.7417 C   0  0  0  0  0
    3.5425   -4.0806    2.5137 C   0  0  0  0  0
    4.3611   -2.9959    2.2004 C   0  0  0  0  0
    4.0660   -2.1721    1.1117 C   0  0  0  0  0
    3.9320   -4.8041    3.6070 O   0  0  0  0  0
    3.4664   -6.1469    3.6647 C   0  0  0  0  0
    2.2529    0.7698   -1.7059 N   0  0  0  0  0
    2.7375    2.0608   -1.8001 C   0  0  0  0  0
    3.2770    2.6360   -0.8593 O   0  0  0  0  0
    2.4346    2.7852   -3.1102 C   0  0  0  0  0
    2.7326    1.9645   -4.2773 N   0  0  0  0  0
    1.7289    1.5651   -5.1357 C   0  0  0  0  0
    0.5377    1.8144   -4.9764 O   0  0  0  0  0
    2.1654    0.7730   -6.2839 C   0  0  0  0  0
    1.2656    0.3118   -7.2529 C   0  0  0  0  0
    1.7353   -0.4778   -8.3018 C   0  0  0  0  0
    3.0904   -0.7972   -8.3749 C   0  0  0  0  0
    3.9756   -0.3147   -7.4065 C   0  0  0  0  0
    3.5173    0.4824   -6.3502 C   0  0  0  0  0
    4.4396    0.9501   -5.4092 N   0  0  0  0  0
    4.0530    1.6581   -4.4565 N   0  0  0  0  0
    1.0920    1.2715    0.6801 H   0  0  0  0  0
    1.3130   -0.3319    1.3858 H   0  0  0  0  0
    0.2688   -0.1202   -0.0330 H   0  0  0  0  0
    3.2949    0.3420    0.0371 H   0  0  0  0  0
    3.3990   -1.6108   -1.5732 H   0  0  0  0  0
    1.6866   -1.8779   -1.3446 H   0  0  0  0  0
    1.2075   -3.6979    0.0740 H   0  0  0  0  0
    1.7303   -5.1403    1.9672 H   0  0  0  0  0
    5.2433   -2.7955    2.8036 H   0  0  0  0  0
    4.7370   -1.3470    0.8826 H   0  0  0  0  0
    3.9464   -6.6286    4.5222 H   0  0  0  0  0
    3.7539   -6.7010    2.7646 H   0  0  0  0  0
    2.3851   -6.1898    3.8268 H   0  0  0  0  0
    1.6015    0.4534   -2.4147 H   0  0  0  0  0
    3.0503    3.6891   -3.1695 H   0  0  0  0  0
    1.3815    3.0843   -3.0950 H   0  0  0  0  0
    0.2093    0.5619   -7.1890 H   0  0  0  0  0
    1.0462   -0.8479   -9.0575 H   0  0  0  0  0
    3.4608   -1.4212   -9.1855 H   0  0  0  0  0
    5.0323   -0.5637   -7.4720 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 12  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 33  1  0  0  0
  6  7  2  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 36  1  0  0  0
 10 11  1  0  0  0
 11 37  1  0  0  0
 11 38  1  0  0  0
 11 39  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 26  1  0  0  0
 16 17  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 43  1  0  0  0
 21 22  2  0  0  0
 21 44  1  0  0  0
 22 23  1  0  0  0
 22 45  1  0  0  0
 23 24  2  0  0  0
 23 46  1  0  0  0
 24 25  1  0  0  0
 25 26  2  0  0  0
M  END

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

>  <PubChem CID>
121349679

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC(CC1=CC=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

>  <Isomeric SMILES>
C[C@@H](CC1=CC=C(C=C1)OC)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

>  <InChI Std. ID>
InChI=1S/C19H20N4O3/c1-13(11-14-7-9-15(26-2)10-8-14)20-18(24)12-23-19(25)16-5-3-4-6-17(16)21-22-23/h3-10,13H,11-12H2,1-2H3,(H,20,24)/t13-/m0/s1

>  <InChI Key>
VDXSDOHBTDMGFG-ZDUSSCGKSA-N

