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

 43 45  0  0  0  0  0  0  0  0999 V2000
    2.3200   -1.1785    1.5191 C   0  0  0  0  0
    3.1447   -0.7366    0.3083 C   0  0  0  0  0
    2.3787   -0.7146   -1.0034 C   0  0  0  0  0
    1.0084   -0.4345   -1.0844 C   0  0  0  0  0
    0.3554   -0.4309   -2.3216 C   0  0  0  0  0
    1.0533   -0.6933   -3.5013 C   0  0  0  0  0
    2.4221   -0.9430   -3.4367 C   0  0  0  0  0
    3.0769   -0.9499   -2.1997 C   0  0  0  0  0
    0.2906   -0.6708   -4.6361 O   0  0  0  0  0
    0.9439   -1.0116   -5.8525 C   0  0  0  0  0
    3.7177    0.5753    0.5563 N   0  0  0  0  0
    5.0378    0.8696    0.3021 C   0  0  0  0  0
    5.8582    0.0084   -0.0164 O   0  0  0  0  0
    5.4821    2.3027    0.6016 C   0  0  0  0  0
    4.4243    3.2969    0.4777 N   0  0  0  0  0
    3.6933    3.6787    1.5845 C   0  0  0  0  0
    3.8239    3.1941    2.7037 O   0  0  0  0  0
    2.6829    4.7038    1.3435 C   0  0  0  0  0
    1.8552    5.1815    2.3662 C   0  0  0  0  0
    0.8981    6.1513    2.0745 C   0  0  0  0  0
    0.7796    6.6358    0.7725 C   0  0  0  0  0
    1.6161    6.1465   -0.2359 C   0  0  0  0  0
    2.5776    5.1679    0.0424 C   0  0  0  0  0
    3.3815    4.6919   -0.9988 N   0  0  0  0  0
    4.2366    3.8095   -0.7738 N   0  0  0  0  0
    2.9641   -1.2822    2.4001 H   0  0  0  0  0
    1.8374   -2.1452    1.3383 H   0  0  0  0  0
    1.5440   -0.4496    1.7787 H   0  0  0  0  0
    3.9562   -1.4687    0.2082 H   0  0  0  0  0
    0.4228   -0.2204   -0.1946 H   0  0  0  0  0
   -0.7117   -0.2248   -2.3652 H   0  0  0  0  0
    3.0133   -1.1351   -4.3253 H   0  0  0  0  0
    4.1493   -1.1422   -2.1723 H   0  0  0  0  0
    0.1932   -1.0040   -6.6489 H   0  0  0  0  0
    1.3689   -2.0203   -5.8073 H   0  0  0  0  0
    1.7088   -0.2707   -6.1078 H   0  0  0  0  0
    3.0765    1.3403    0.7113 H   0  0  0  0  0
    6.2853    2.5679   -0.0957 H   0  0  0  0  0
    5.8890    2.3181    1.6186 H   0  0  0  0  0
    1.9540    4.7986    3.3799 H   0  0  0  0  0
    0.2463    6.5279    2.8595 H   0  0  0  0  0
    0.0346    7.3931    0.5394 H   0  0  0  0  0
    1.5156    6.5281   -1.2497 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2 11  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  5  6  2  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
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M  END

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

>  <PubChem CID>
121349548

>  <Formula>
C18H18N4O3

>  <Molecular Weight>
338.367000

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

>  <XlogP>
2.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

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

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

>  <InChI Std. ID>
InChI=1S/C18H18N4O3/c1-12(13-7-9-14(25-2)10-8-13)19-17(23)11-22-18(24)15-5-3-4-6-16(15)20-21-22/h3-10,12H,11H2,1-2H3,(H,19,23)/t12-/m0/s1

>  <InChI Key>
MROVHIZKKLRMMY-LBPRGKRZSA-N

