
 SCHEMBL17767021

 46 48  0  0  0  0  0  0  0  0999 V2000
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    6.3257    1.1123    0.8224 C   0  0  0  0  0
    6.4098   -1.0269   -0.3867 N   0  0  0  0  0
    6.7494   -0.8629   -1.7061 C   0  0  0  0  0
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   10.4050   -2.4646   -0.0659 N   0  0  0  0  0
    9.6431   -1.9898   -0.9341 N   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL17767021

>  <PubChem CID>
121349633

>  <Formula>
C19H20N4O3

>  <Molecular Weight>
352.394000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=C(C=C1)C(C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)OC

>  <Isomeric SMILES>
CC1=CC(=C(C=C1)[C@H](C)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2)OC

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

>  <InChI Key>
FHQBSRAOVCISAR-ZDUSSCGKSA-N

