
 AM 281

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.1303    0.7459   -0.0930 C   0  0  0  0  0
    2.5850    0.6121   -0.3901 C   0  0  0  0  0
    3.5462    1.6273   -0.4668 C   0  0  0  0  0
    4.7457    0.9845   -0.8035 N   0  0  0  0  0
    4.5460   -0.3277   -1.0519 N   0  0  0  0  0
    3.2606   -0.5775   -0.7705 C   0  0  0  0  0
    2.7305   -1.9457   -0.9437 C   0  0  0  0  0
    1.6388   -2.3061   -0.5150 O   0  0  0  0  0
    3.6119   -2.7396   -1.6689 N   0  0  0  0  0
    3.3232   -4.0835   -1.9657 N   0  0  0  0  0
    2.9361   -4.2622   -3.3790 C   0  0  0  0  0
    4.1240   -4.1904   -4.3493 C   0  0  0  0  0
    5.1490   -5.1261   -3.9904 O   0  0  0  0  0
    5.6074   -4.8808   -2.6551 C   0  0  0  0  0
    4.4564   -4.9710   -1.6425 C   0  0  0  0  0
    6.0884    1.4789   -0.8273 C   0  0  0  0  0
    7.0784    0.9189   -1.6655 C   0  0  0  0  0
    8.3977    1.3902   -1.6106 C   0  0  0  0  0
    8.7395    2.4138   -0.7342 C   0  0  0  0  0
    7.7767    2.9769    0.0961 C   0  0  0  0  0
    6.4584    2.5087    0.0569 C   0  0  0  0  0
   10.3600    2.9873   -0.6817 Cl  0  0  0  0  0
    6.7833   -0.2716   -2.8946 Cl  0  0  0  0  0
    3.3285    3.0863   -0.3781 C   0  0  0  0  0
    3.8834    3.9651   -1.3220 C   0  0  0  0  0
    3.6210    5.3394   -1.2695 C   0  0  0  0  0
    2.7657    5.8461   -0.2944 C   0  0  0  0  0
    2.1958    4.9934    0.6452 C   0  0  0  0  0
    2.4919    3.6260    0.6116 C   0  0  0  0  0
    2.3253    7.8753   -0.2527 I   0  0  0  0  0
    0.5842   -0.1904   -0.2191 H   0  0  0  0  0
    0.6692    1.4778   -0.7638 H   0  0  0  0  0
    0.9751    1.0661    0.9413 H   0  0  0  0  0
    4.4920   -2.2980   -1.9387 H   0  0  0  0  0
    2.1694   -3.5319   -3.6650 H   0  0  0  0  0
    2.4706   -5.2520   -3.4694 H   0  0  0  0  0
    3.7895   -4.4424   -5.3609 H   0  0  0  0  0
    4.5533   -3.1821   -4.3849 H   0  0  0  0  0
    6.3631   -5.6375   -2.4218 H   0  0  0  0  0
    6.0998   -3.9019   -2.6187 H   0  0  0  0  0
    4.0761   -6.0001   -1.6347 H   0  0  0  0  0
    4.8254   -4.7673   -0.6303 H   0  0  0  0  0
    9.1570    0.9644   -2.2631 H   0  0  0  0  0
    8.0471    3.7715    0.7879 H   0  0  0  0  0
    5.7508    2.9394    0.7625 H   0  0  0  0  0
    4.5188    3.5953   -2.1231 H   0  0  0  0  0
    4.0761    5.9952   -2.0080 H   0  0  0  0  0
    1.5141    5.3700    1.4040 H   0  0  0  0  0
    2.0414    2.9878    1.3677 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  7  9  1  0  0  0
  7  8  2  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
 10 15  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 23  1  0  0  0
 18 19  2  0  0  0
 18 43  1  0  0  0
 19 20  1  0  0  0
 19 22  1  0  0  0
 20 21  2  0  0  0
 20 44  1  0  0  0
 21 45  1  0  0  0
 24 25  2  0  0  0
 24 29  1  0  0  0
 25 26  1  0  0  0
 25 46  1  0  0  0
 26 27  2  0  0  0
 26 47  1  0  0  0
 27 28  1  0  0  0
 27 30  1  0  0  0
 28 29  2  0  0  0
 28 48  1  0  0  0
 29 49  1  0  0  0
M  END

>  <Chemical Name>
AM 281

>  <PubChem CID>
4302962

>  <Formula>
C21H19Cl2IN4O2

>  <Molecular Weight>
557.213000

>  <IUPAC Name>
1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-ylpyrazole-3-carboxamide

>  <XlogP>
5.300

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=C(N(N=C1C(=O)NN2CCOCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I

>  <Isomeric SMILES>
CC1=C(N(N=C1C(=O)NN2CCOCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I

>  <InChI Std. ID>
InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)

>  <InChI Key>
AJFFBPZYXRNAIC-UHFFFAOYSA-N

