
 (S)-2-(7-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.7055   -2.0086    1.3078 C   0  0  0  0  0
    3.1158   -1.6925    0.9082 C   0  0  0  0  0
    3.3955   -1.2678   -0.3938 C   0  0  0  0  0
    4.7047   -0.9626   -0.7726 C   0  0  0  0  0
    5.7639   -1.0610    0.1442 C   0  0  0  0  0
    5.4754   -1.4882    1.4482 C   0  0  0  0  0
    4.1638   -1.7904    1.8283 C   0  0  0  0  0
    7.1773   -0.7826   -0.3372 C   0  0  0  0  0
    8.1051   -0.1911    0.7283 C   0  0  0  0  0
    7.7277   -2.0101   -0.8838 N   0  0  0  0  0
    8.7516   -2.0290   -1.7997 C   0  0  0  0  0
    9.2448   -1.0017   -2.2634 O   0  0  0  0  0
    9.1853   -3.4108   -2.2916 C   0  0  0  0  0
    8.6316   -4.5117   -1.5129 N   0  0  0  0  0
    9.3074   -4.9730   -0.4016 C   0  0  0  0  0
   10.3601   -4.5009    0.0180 O   0  0  0  0  0
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    7.4826   -6.5467   -0.2356 C   0  0  0  0  0
    6.8545   -7.6332    0.3862 C   0  0  0  0  0
    7.4209   -8.2557    1.5110 C   0  0  0  0  0
    8.6262   -7.7663    2.0270 C   0  0  0  0  0
    9.2621   -6.6870    1.4154 C   0  0  0  0  0
    6.7182   -9.4116    2.1609 C   0  0  0  0  0
    6.8752   -5.9595   -1.3516 N   0  0  0  0  0
    7.4344   -5.0101   -1.9401 N   0  0  0  0  0
    1.1213   -1.0864    1.3855 H   0  0  0  0  0
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    3.9699   -2.1112    2.8495 H   0  0  0  0  0
    7.1256   -0.0465   -1.1506 H   0  0  0  0  0
    8.3279   -0.9102    1.5241 H   0  0  0  0  0
    7.6634    0.7015    1.1845 H   0  0  0  0  0
    9.0657    0.0993    0.2884 H   0  0  0  0  0
    7.3297   -2.8915   -0.5816 H   0  0  0  0  0
   10.2791   -3.4529   -2.2517 H   0  0  0  0  0
    8.8669   -3.5206   -3.3341 H   0  0  0  0  0
    5.9111   -7.9983   -0.0164 H   0  0  0  0  0
    9.0798   -8.2238    2.9043 H   0  0  0  0  0
   10.2030   -6.3112    1.8116 H   0  0  0  0  0
    7.3544   -9.8974    2.9082 H   0  0  0  0  0
    6.4551  -10.1658    1.4120 H   0  0  0  0  0
    5.8073   -9.0652    2.6590 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4 30  1  0  0  0
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  5  8  1  0  0  0
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  6 31  1  0  0  0
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  8 10  1  0  0  0
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M  END

>  <Chemical Name>
(S)-2-(7-methyl-4-oxobenzo[d][1,2,3]triazin-3(4H)-yl)-N-(1-p-tolylethyl)acetamide

>  <PubChem CID>
121349787

>  <Formula>
C19H20N4O2

>  <Molecular Weight>
336.395000

>  <IUPAC Name>
2-(7-methyl-4-oxo-1,2,3-benzotriazin-3-yl)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C19H20N4O2/c1-12-4-7-15(8-5-12)14(3)20-18(24)11-23-19(25)16-9-6-13(2)10-17(16)21-22-23/h4-10,14H,11H2,1-3H3,(H,20,24)/t14-/m0/s1

>  <InChI Key>
UOFXNHJSTFHCTF-AWEZNQCLSA-N

