
 SCHEMBL17767031

 46 48  0  0  0  0  0  0  0  0999 V2000
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    5.2630   -3.8848    1.8463 C   0  0  0  0  0
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    6.6684   -0.6456    2.5544 C   0  0  0  0  0
    8.7716    1.3459    0.0395 C   0  0  0  0  0
    8.2113    2.7624    0.1899 C   0  0  0  0  0
   10.0743    1.2051    0.6616 N   0  0  0  0  0
   11.2201    1.8265    0.2226 C   0  0  0  0  0
   11.2482    2.5646   -0.7592 O   0  0  0  0  0
   12.4770    1.5436    1.0586 C   0  0  0  0  0
   12.2005    0.6246    2.1581 N   0  0  0  0  0
   11.7422    1.1183    3.3657 C   0  0  0  0  0
   11.6735    2.3119    3.6488 O   0  0  0  0  0
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   10.2175   -1.8660    5.9448 C   0  0  0  0  0
   10.8113   -2.1987    4.7235 C   0  0  0  0  0
   11.3296   -1.2055    3.8851 C   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17767031

>  <PubChem CID>
41757362

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCOC1=CC=C(C=C1)C(C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

>  <Isomeric SMILES>
CCOC1=CC=C(C=C1)[C@H](C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

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

>  <InChI Key>
CWATUEVSJUJDCD-ZDUSSCGKSA-N

