
 (S)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

 49 51  0  0  0  0  0  0  0  0999 V2000
    6.4131    6.5605    7.3665 C   0  0  0  0  0
    6.6197    6.7835    5.8976 C   0  0  0  0  0
    6.9589    8.0468    5.3986 C   0  0  0  0  0
    7.1732    8.2510    4.0222 C   0  0  0  0  0
    7.0432    7.1736    3.1247 C   0  0  0  0  0
    6.7160    5.9275    3.6381 C   0  0  0  0  0
    6.5111    5.7149    5.0064 C   0  0  0  0  0
    6.5908    4.8395    2.6758 C   0  0  0  0  0
    6.3380    3.7015    3.0615 O   0  0  0  0  0
    6.7858    5.1896    1.3567 N   0  0  0  0  0
    7.1207    6.4434    0.9419 N   0  0  0  0  0
    7.2509    7.3837    1.7527 N   0  0  0  0  0
    6.6841    4.1684    0.3241 C   0  0  0  0  0
    7.9849    3.3859    0.1438 C   0  0  0  0  0
    8.0110    2.3202   -0.4701 O   0  0  0  0  0
    9.1251    4.0073    0.6019 N   0  0  0  0  0
   10.4483    3.4154    0.4809 C   0  0  0  0  0
   10.9319    3.4957   -0.9717 C   0  0  0  0  0
   11.3788    4.0524    1.5063 C   0  0  0  0  0
   11.1101    3.8717    2.8763 C   0  0  0  0  0
   11.9295    4.4402    3.8608 C   0  0  0  0  0
   13.0371    5.2000    3.4928 C   0  0  0  0  0
   13.3249    5.3709    2.1399 C   0  0  0  0  0
   12.5008    4.8155    1.1563 C   0  0  0  0  0
   13.9220    5.7943    4.3488 O   0  0  0  0  0
   13.4463    6.0480    5.6647 C   0  0  0  0  0
    7.5108    9.6284    3.5194 C   0  0  0  0  0
    6.2630    7.5071    7.8957 H   0  0  0  0  0
    7.2850    6.0571    7.7956 H   0  0  0  0  0
    5.5234    5.9453    7.5378 H   0  0  0  0  0
    7.0548    8.8855    6.0873 H   0  0  0  0  0
    6.2603    4.7190    5.3682 H   0  0  0  0  0
    6.4235    4.6412   -0.6289 H   0  0  0  0  0
    5.8956    3.4584    0.5960 H   0  0  0  0  0
    9.0467    4.9414    0.9880 H   0  0  0  0  0
   10.3610    2.3496    0.7321 H   0  0  0  0  0
   10.9661    4.5324   -1.3261 H   0  0  0  0  0
   10.2600    2.9522   -1.6443 H   0  0  0  0  0
   11.9293    3.0571   -1.0831 H   0  0  0  0  0
   10.2533    3.2738    3.1863 H   0  0  0  0  0
   11.6867    4.2542    4.9017 H   0  0  0  0  0
   14.1970    5.9500    1.8456 H   0  0  0  0  0
   12.7659    4.9922    0.1175 H   0  0  0  0  0
   14.1986    6.6548    6.1782 H   0  0  0  0  0
   13.3279    5.1184    6.2296 H   0  0  0  0  0
   12.5128    6.6208    5.6442 H   0  0  0  0  0
    7.7004   10.3213    4.3459 H   0  0  0  0  0
    6.6794   10.0267    2.9290 H   0  0  0  0  0
    8.4155    9.6015    2.9034 H   0  0  0  0  0
  1  2  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 31  1  0  0  0
  4  5  2  0  0  0
  4 27  1  0  0  0
  5 12  1  0  0  0
  5  6  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  7 32  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 13 34  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 19  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
 25 26  1  0  0  0
 26 44  1  0  0  0
 26 45  1  0  0  0
 26 46  1  0  0  0
 27 47  1  0  0  0
 27 48  1  0  0  0
 27 49  1  0  0  0
M  END

>  <Chemical Name>
(S)-2-(6,8-dimethyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

>  <PubChem CID>
121349615

>  <Formula>
C20H22N4O3

>  <Molecular Weight>
366.421000

>  <IUPAC Name>
2-(6,8-dimethyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C2C(=C1)C(=O)N(N=N2)CC(=O)NC(C)C3=CC=C(C=C3)OC)C

>  <Isomeric SMILES>
CC1=CC(=C2C(=C1)C(=O)N(N=N2)CC(=O)N[C@@H](C)C3=CC=C(C=C3)OC)C

>  <InChI Std. ID>
InChI=1S/C20H22N4O3/c1-12-9-13(2)19-17(10-12)20(26)24(23-22-19)11-18(25)21-14(3)15-5-7-16(27-4)8-6-15/h5-10,14H,11H2,1-4H3,(H,21,25)/t14-/m0/s1

>  <InChI Key>
BHDLUINLODALAW-AWEZNQCLSA-N

