
 SC 19220

 37 39  0  0  0  0  0  0  0  0999 V2000
    7.6990   -2.4580   -0.9277 C   0  0  0  0  0
    8.7565   -1.6632   -0.2146 C   0  0  0  0  0
    9.4487   -2.1303    0.6886 O   0  0  0  0  0
    8.9205   -0.3817   -0.6911 N   0  0  0  0  0
    9.8519    0.4435   -0.0265 N   0  0  0  0  0
    9.6039    1.8098   -0.0345 C   0  0  0  0  0
    8.5884    2.2133   -0.6032 O   0  0  0  0  0
   10.5819    2.5940    0.6060 N   0  0  0  0  0
   11.8092    1.9819    1.1312 C   0  0  0  0  0
   11.7764    1.9646    2.6261 C   0  0  0  0  0
   11.5512    0.8102    3.3826 C   0  0  0  0  0
   11.5164    0.8895    4.7772 C   0  0  0  0  0
   11.7076    2.1151    5.4181 C   0  0  0  0  0
   11.9259    3.2679    4.6656 C   0  0  0  0  0
   11.9340    3.1862    3.2757 C   0  0  0  0  0
   12.2255    4.3119    2.5512 O   0  0  0  0  0
   11.2602    4.7873    1.6816 C   0  0  0  0  0
   10.4599    4.0393    0.7755 C   0  0  0  0  0
    9.5506    4.7822   -0.0049 C   0  0  0  0  0
    9.4484    6.1758    0.0935 C   0  0  0  0  0
   10.2548    6.8856    0.9673 C   0  0  0  0  0
   11.1629    6.1909    1.7540 C   0  0  0  0  0
    8.3286    7.0254   -0.9019 Cl  0  0  0  0  0
    8.1786   -3.1112   -1.6618 H   0  0  0  0  0
    6.9875   -1.8054   -1.4412 H   0  0  0  0  0
    7.1497   -3.0621   -0.2006 H   0  0  0  0  0
    8.2013    0.1070   -1.2253 H   0  0  0  0  0
   10.1826    0.0304    0.8429 H   0  0  0  0  0
   11.9790    0.9736    0.7431 H   0  0  0  0  0
   12.6731    2.5503    0.7601 H   0  0  0  0  0
   11.4081   -0.1563    2.9048 H   0  0  0  0  0
   11.3440   -0.0079    5.3673 H   0  0  0  0  0
   11.6916    2.1698    6.5036 H   0  0  0  0  0
   12.0896    4.2215    5.1591 H   0  0  0  0  0
    8.9200    4.3127   -0.7510 H   0  0  0  0  0
   10.1864    7.9672    1.0373 H   0  0  0  0  0
   11.8022    6.7404    2.4426 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  1  0  0  0
  5 28  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 12 13  2  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 36  1  0  0  0
 22 37  1  0  0  0
M  END

>  <Chemical Name>
SC 19220

>  <PubChem CID>
4336830

>  <Formula>
C16H14ClN3O3

>  <Molecular Weight>
331.756000

>  <IUPAC Name>
N'-acetyl-3-chloro-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

>  <Isomeric SMILES>
CC(=O)NNC(=O)N1CC2=CC=CC=C2OC3=C1C=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C16H14ClN3O3/c1-10(21)18-19-16(22)20-9-11-4-2-3-5-14(11)23-15-7-6-12(17)8-13(15)20/h2-8H,9H2,1H3,(H,18,21)(H,19,22)

>  <InChI Key>
KNURFLJTOUGOOQ-UHFFFAOYSA-N

