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

 39 41  0  0  0  0  0  0  0  0999 V2000
    0.3906    1.9840   -0.8860 C   0  0  0  0  0
    1.8841    1.8925   -1.1991 C   0  0  0  0  0
    2.2151    1.4292   -2.6107 C   0  0  0  0  0
    1.3544    1.6271   -3.7026 C   0  0  0  0  0
    1.7004    1.1709   -4.9787 C   0  0  0  0  0
    2.9177    0.5254   -5.1799 C   0  0  0  0  0
    3.7970    0.3406   -4.1177 C   0  0  0  0  0
    3.4487    0.7937   -2.8420 C   0  0  0  0  0
    3.3366   -0.0410   -6.7490 Cl  0  0  0  0  0
    2.5028    3.1830   -0.9524 N   0  0  0  0  0
    3.6043    3.3539   -0.1393 C   0  0  0  0  0
    4.1135    2.4428    0.5073 O   0  0  0  0  0
    4.1198    4.7917   -0.0773 C   0  0  0  0  0
    4.7973    5.1485   -1.3146 N   0  0  0  0  0
    4.0591    5.4542   -2.4403 C   0  0  0  0  0
    2.8300    5.4440   -2.4820 O   0  0  0  0  0
    4.8357    5.7547   -3.6366 C   0  0  0  0  0
    4.2284    5.9616   -4.8798 C   0  0  0  0  0
    5.0239    6.2224   -5.9917 C   0  0  0  0  0
    6.4105    6.2834   -5.8519 C   0  0  0  0  0
    6.9984    6.0738   -4.6001 C   0  0  0  0  0
    6.2115    5.7956   -3.4770 C   0  0  0  0  0
    6.8398    5.5622   -2.2472 N   0  0  0  0  0
    6.1585    5.2243   -1.2556 N   0  0  0  0  0
    0.2381    2.2186    0.1733 H   0  0  0  0  0
   -0.1193    1.0388   -1.1003 H   0  0  0  0  0
   -0.1018    2.7788   -1.4585 H   0  0  0  0  0
    2.3032    1.1555   -0.5021 H   0  0  0  0  0
    0.4013    2.1347   -3.5814 H   0  0  0  0  0
    1.0150    1.3206   -5.8082 H   0  0  0  0  0
    4.7516   -0.1565   -4.2708 H   0  0  0  0  0
    4.1477    0.6463   -2.0188 H   0  0  0  0  0
    2.2474    3.9503   -1.5754 H   0  0  0  0  0
    4.8086    4.8883    0.7680 H   0  0  0  0  0
    3.2760    5.4700    0.0904 H   0  0  0  0  0
    3.1476    5.9080   -4.9805 H   0  0  0  0  0
    4.5663    6.3735   -6.9668 H   0  0  0  0  0
    7.0361    6.4874   -6.7179 H   0  0  0  0  0
    8.0813    6.1183   -4.5004 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2 10  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  5  6  2  0  0  0
  5 30  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 31  1  0  0  0
  8 32  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 24  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 21  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 23  1  0  0  0
 23 24  2  0  0  0
M  END

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

>  <PubChem CID>
8036946

>  <Formula>
C17H15ClN4O2

>  <Molecular Weight>
342.783000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C17H15ClN4O2/c1-11(12-6-8-13(18)9-7-12)19-16(23)10-22-17(24)14-4-2-3-5-15(14)20-21-22/h2-9,11H,10H2,1H3,(H,19,23)/t11-/m0/s1

>  <InChI Key>
BRVHTHJIFYTNJL-NSHDSACASA-N

