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

 46 48  0  0  0  0  0  0  0  0999 V2000
    9.5133   -2.9466    4.2467 C   0  0  0  0  0
    9.6153   -3.2021    2.7675 C   0  0  0  0  0
   10.8608   -3.0767    2.1266 C   0  0  0  0  0
   10.9786   -3.2905    0.7536 C   0  0  0  0  0
    9.8528   -3.6243    0.0083 C   0  0  0  0  0
    8.6138   -3.7373    0.6490 C   0  0  0  0  0
    8.4695   -3.5315    2.0143 C   0  0  0  0  0
    7.2265   -3.6408    2.6561 N   0  0  0  0  0
    6.1908   -3.8574    1.9940 N   0  0  0  0  0
    6.2346   -4.0515    0.6450 N   0  0  0  0  0
    7.3983   -4.0515   -0.0967 C   0  0  0  0  0
    7.4552   -4.2803   -1.3010 O   0  0  0  0  0
    4.9552   -4.2612   -0.0193 C   0  0  0  0  0
    4.5292   -5.7270   -0.0791 C   0  0  0  0  0
    3.6696   -6.1117   -0.8709 O   0  0  0  0  0
    5.0399   -6.5410    0.9061 N   0  0  0  0  0
    4.7045   -7.9530    1.0003 C   0  0  0  0  0
    5.5494   -8.7589    0.0095 C   0  0  0  0  0
    4.8031   -8.3930    2.4524 C   0  0  0  0  0
    3.8309   -7.9346    3.3582 C   0  0  0  0  0
    3.8802   -8.2916    4.7078 C   0  0  0  0  0
    4.9073   -9.1014    5.1886 C   0  0  0  0  0
    5.8715   -9.5748    4.3003 C   0  0  0  0  0
    5.8231   -9.2182    2.9457 C   0  0  0  0  0
    4.8509   -9.3735    6.5276 O   0  0  0  0  0
    6.0501   -9.8567    7.1216 C   0  0  0  0  0
   10.5030   -2.8427    4.7039 H   0  0  0  0  0
    9.0106   -3.7803    4.7474 H   0  0  0  0  0
    8.9574   -2.0218    4.4307 H   0  0  0  0  0
   11.7485   -2.8079    2.6971 H   0  0  0  0  0
   11.9456   -3.1900    0.2660 H   0  0  0  0  0
    9.9355   -3.7847   -1.0645 H   0  0  0  0  0
    5.0148   -3.8854   -1.0462 H   0  0  0  0  0
    4.1814   -3.6981    0.5140 H   0  0  0  0  0
    5.7396   -6.1646    1.5360 H   0  0  0  0  0
    3.6575   -8.0777    0.6924 H   0  0  0  0  0
    6.6222   -8.6196    0.1856 H   0  0  0  0  0
    5.3520   -8.4387   -1.0197 H   0  0  0  0  0
    5.3241   -9.8288    0.0743 H   0  0  0  0  0
    3.0243   -7.2897    3.0132 H   0  0  0  0  0
    3.1170   -7.9261    5.3904 H   0  0  0  0  0
    6.6700  -10.2326    4.6265 H   0  0  0  0  0
    6.5977   -9.6065    2.2896 H   0  0  0  0  0
    5.8978   -9.8858    8.2049 H   0  0  0  0  0
    6.8914   -9.1835    6.9215 H   0  0  0  0  0
    6.2725  -10.8761    6.7895 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 32  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  9 10  1  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
M  END

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

>  <PubChem CID>
121349587

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC=CC2=C1N=NN(C2=O)CC(=O)NC(C)C3=CC=C(C=C3)OC

>  <Isomeric SMILES>
CC1=CC=CC2=C1N=NN(C2=O)CC(=O)N[C@@H](C)C3=CC=C(C=C3)OC

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

>  <InChI Key>
SPIRXYAZOIUKLW-ZDUSSCGKSA-N

