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

 42 44  0  0  0  0  0  0  0  0999 V2000
   13.3295    2.7975   -2.6337 C   0  0  0  0  0
   11.9552    2.2261   -2.4537 C   0  0  0  0  0
   11.4341    2.0497   -1.1684 C   0  0  0  0  0
   10.1678    1.4883   -0.9856 C   0  0  0  0  0
    9.4089    1.0581   -2.0821 C   0  0  0  0  0
    9.9265    1.2636   -3.3696 C   0  0  0  0  0
   11.1878    1.8358   -3.5533 C   0  0  0  0  0
    8.0404    0.4225   -1.9362 C   0  0  0  0  0
    7.8176   -0.4146   -0.6692 C   0  0  0  0  0
    8.7826   -1.4903   -0.5382 N   0  0  0  0  0
    8.5961   -2.7262   -1.1189 C   0  0  0  0  0
    7.5171   -3.0780   -1.5921 O   0  0  0  0  0
    9.7616   -3.7008   -0.9490 C   0  0  0  0  0
   11.0528   -3.0240   -0.9542 N   0  0  0  0  0
   11.7170   -2.8371   -2.1503 C   0  0  0  0  0
   11.2958   -3.1996   -3.2448 O   0  0  0  0  0
   13.0137   -2.1769   -2.0471 C   0  0  0  0  0
   13.8313   -1.9752   -3.1654 C   0  0  0  0  0
   15.0742   -1.3673   -3.0034 C   0  0  0  0  0
   15.4871   -0.9660   -1.7338 C   0  0  0  0  0
   14.6542   -1.1721   -0.6287 C   0  0  0  0  0
   13.4038   -1.7846   -0.7770 C   0  0  0  0  0
   12.6058   -1.9824    0.3564 N   0  0  0  0  0
   11.5158   -2.5844    0.2544 N   0  0  0  0  0
   13.4381    3.7203   -2.0547 H   0  0  0  0  0
   13.5287    3.0395   -3.6827 H   0  0  0  0  0
   14.0801    2.0741   -2.3006 H   0  0  0  0  0
   12.0114    2.3525   -0.2981 H   0  0  0  0  0
    9.7940    1.3898    0.0301 H   0  0  0  0  0
    9.3504    0.9690   -4.2450 H   0  0  0  0  0
   11.5637    1.9710   -4.5653 H   0  0  0  0  0
    7.8618   -0.2260   -2.8043 H   0  0  0  0  0
    7.2888    1.2210   -1.9728 H   0  0  0  0  0
    6.8079   -0.8398   -0.6909 H   0  0  0  0  0
    7.8925    0.1997    0.2328 H   0  0  0  0  0
    9.7284   -1.2518   -0.2563 H   0  0  0  0  0
    9.7258   -4.4275   -1.7674 H   0  0  0  0  0
    9.6375   -4.2322    0.0007 H   0  0  0  0  0
   13.5031   -2.2973   -4.1510 H   0  0  0  0  0
   15.7204   -1.2117   -3.8643 H   0  0  0  0  0
   16.4585   -0.4951   -1.6016 H   0  0  0  0  0
   14.9861   -0.8590    0.3586 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  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
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 14 15  1  0  0  0
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 17 22  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 19 40  1  0  0  0
 20 21  1  0  0  0
 20 41  1  0  0  0
 21 22  2  0  0  0
 21 42  1  0  0  0
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 23 24  2  0  0  0
M  END

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

>  <PubChem CID>
121349780

>  <Formula>
C18H18N4O2

>  <Molecular Weight>
322.368000

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

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

>  <Isomeric SMILES>
CC1=CC=C(C=C1)CCNC(=O)CN2C(=O)C3=CC=CC=C3N=N2

>  <InChI Std. ID>
InChI=1S/C18H18N4O2/c1-13-6-8-14(9-7-13)10-11-19-17(23)12-22-18(24)15-4-2-3-5-16(15)20-21-22/h2-9H,10-12H2,1H3,(H,19,23)

>  <InChI Key>
RHLQOJVKJGYHQZ-UHFFFAOYSA-N

