
 (S)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3 (4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.6678   -0.8318    0.2082 C   0  0  0  0  0
    2.4518    0.3915   -0.6895 C   0  0  0  0  0
    0.9776    0.7258   -0.8359 C   0  0  0  0  0
    0.1723    0.9946    0.2821 C   0  0  0  0  0
   -1.1734    1.3325    0.1239 C   0  0  0  0  0
   -1.7453    1.3968   -1.1467 C   0  0  0  0  0
   -0.9522    1.1441   -2.2652 C   0  0  0  0  0
    0.3996    0.8135   -2.1103 C   0  0  0  0  0
   -3.0689    1.7401   -1.1652 O   0  0  0  0  0
   -3.7774    1.4480   -2.3634 C   0  0  0  0  0
    3.1561    1.5580   -0.1878 N   0  0  0  0  0
    4.5242    1.6838   -0.2132 C   0  0  0  0  0
    5.2540    0.8787   -0.7890 O   0  0  0  0  0
    5.0879    2.9465    0.4505 C   0  0  0  0  0
    4.1537    3.6673    1.3185 N   0  0  0  0  0
    4.0699    5.0491    1.2483 C   0  0  0  0  0
    4.7370    5.7142    0.4593 O   0  0  0  0  0
    3.1200    5.6734    2.1857 C   0  0  0  0  0
    2.4596    4.7897    3.0356 C   0  0  0  0  0
    1.5087    5.2877    3.9364 C   0  0  0  0  0
    1.2255    6.6493    3.9944 C   0  0  0  0  0
    1.9043    7.5310    3.1562 C   0  0  0  0  0
    2.8665    7.0563    2.2558 C   0  0  0  0  0
    3.5292    7.8897    1.3965 O   0  0  0  0  0
    3.8078    9.2002    1.8778 C   0  0  0  0  0
    2.7069    3.4140    3.0587 N   0  0  0  0  0
    3.5382    2.9171    2.2780 N   0  0  0  0  0
    3.7217   -1.1295    0.2193 H   0  0  0  0  0
    2.0833   -1.6879   -0.1469 H   0  0  0  0  0
    2.3808   -0.6340    1.2470 H   0  0  0  0  0
    2.8750    0.1549   -1.6741 H   0  0  0  0  0
    0.5856    0.9505    1.2873 H   0  0  0  0  0
   -1.7833    1.5414    0.9992 H   0  0  0  0  0
   -1.3486    1.2124   -3.2727 H   0  0  0  0  0
    1.0017    0.6322   -2.9989 H   0  0  0  0  0
   -4.8354    1.6637   -2.1855 H   0  0  0  0  0
   -3.6917    0.3875   -2.6239 H   0  0  0  0  0
   -3.4435    2.0861   -3.1875 H   0  0  0  0  0
    2.6424    2.2159    0.3874 H   0  0  0  0  0
    5.4397    3.5993   -0.3551 H   0  0  0  0  0
    5.9465    2.6597    1.0669 H   0  0  0  0  0
    0.9821    4.6015    4.5969 H   0  0  0  0  0
    0.4754    7.0220    4.6881 H   0  0  0  0  0
    1.6490    8.5856    3.2072 H   0  0  0  0  0
    4.5743    9.6385    1.2316 H   0  0  0  0  0
    4.2026    9.1816    2.8999 H   0  0  0  0  0
    2.9176    9.8336    1.8140 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 11  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 11 39  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 14 41  1  0  0  0
 15 27  1  0  0  0
 15 16  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 26  1  0  0  0
 19 20  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 22  1  0  0  0
 21 43  1  0  0  0
 22 23  2  0  0  0
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 23 24  1  0  0  0
 24 25  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
M  END

>  <Chemical Name>
(S)-2-(5-methoxy-4-oxobenzo[d][1,2,3]triazin-3 (4H)-yl)-N-(1-(4-methoxyphenyl)ethyl)acetamide

>  <PubChem CID>
121349805

>  <Formula>
C19H20N4O4

>  <Molecular Weight>
368.393000

>  <IUPAC Name>
2-(5-methoxy-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
CC(C1=CC=C(C=C1)OC)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)N=N2

>  <Isomeric SMILES>
C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CN2C(=O)C3=C(C=CC=C3OC)N=N2

>  <InChI Std. ID>
InChI=1S/C19H20N4O4/c1-12(13-7-9-14(26-2)10-8-13)20-17(24)11-23-19(25)18-15(21-22-23)5-4-6-16(18)27-3/h4-10,12H,11H2,1-3H3,(H,20,24)/t12-/m0/s1

>  <InChI Key>
KNJBLSXPWYUHOB-LBPRGKRZSA-N

