
 CHEMBL1084941

 39 42  0  0  0  0  0  0  0  0999 V2000
    2.2696   -2.3215    0.5233 C   0  0  0  0  0
    2.9165   -1.0321    0.5148 N   0  0  0  0  0
    4.2336   -0.7759    0.2653 C   0  0  0  0  0
    4.3940    0.5911    0.3750 C   0  0  0  0  0
    3.0946    1.0574    0.6867 C   0  0  0  0  0
    2.1950    0.0731    0.7721 N   0  0  0  0  0
    5.6441    1.3093    0.1858 C   0  0  0  0  0
    5.6344    2.6501   -0.2200 C   0  0  0  0  0
    6.8315    3.3541   -0.3974 C   0  0  0  0  0
    8.0655    2.7331   -0.1678 C   0  0  0  0  0
    8.0760    1.3889    0.2271 C   0  0  0  0  0
    6.8794    0.6876    0.4057 C   0  0  0  0  0
    9.3600    3.4845   -0.3710 C   0  0  0  0  0
   10.1493    3.5929    0.8345 N   0  0  0  0  0
    9.9382    4.5201    1.8688 C   0  0  0  0  0
    8.9753    5.5063    1.9712 C   0  0  0  0  0
    8.9844    6.3183    3.1143 C   0  0  0  0  0
    9.9452    6.1396    4.1286 C   0  0  0  0  0
   10.9127    5.1405    4.0208 C   0  0  0  0  0
   10.8778    4.3529    2.8866 C   0  0  0  0  0
   11.7476    3.2438    2.5007 C   0  0  0  0  0
   12.6877    2.8031    3.1215 O   0  0  0  0  0
   11.2175    2.7602    1.1285 C   0  0  0  0  0
   11.6751    1.8381    0.4876 O   0  0  0  0  0
    3.0063   -3.0993    0.3085 H   0  0  0  0  0
    1.4915   -2.3219   -0.2441 H   0  0  0  0  0
    1.8353   -2.4828    1.5130 H   0  0  0  0  0
    4.9256   -1.5715    0.0285 H   0  0  0  0  0
    2.7667    2.0735    0.8619 H   0  0  0  0  0
    4.6959    3.1628   -0.4189 H   0  0  0  0  0
    6.7854    4.3903   -0.7252 H   0  0  0  0  0
    9.0189    0.8702    0.3955 H   0  0  0  0  0
    6.9321   -0.3492    0.7290 H   0  0  0  0  0
    9.1771    4.4931   -0.7606 H   0  0  0  0  0
    9.9447    2.9592   -1.1364 H   0  0  0  0  0
    8.2241    5.6620    1.2056 H   0  0  0  0  0
    8.2355    7.1014    3.2230 H   0  0  0  0  0
    9.9296    6.7855    5.0043 H   0  0  0  0  0
   11.6613    4.9854    4.7913 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  1  0  0  0
  2  6  1  0  0  0
  3  4  2  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 29  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 13  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 23  1  0  0  0
 14 15  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
 20 21  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL1084941

>  <PubChem CID>
44251554

>  <Formula>
C19H15N3O2

>  <Molecular Weight>
317.348000

>  <IUPAC Name>
1-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]indole-2,3-dione

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1C=C(C=N1)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)C3=O

>  <Isomeric SMILES>
CN1C=C(C=N1)C2=CC=C(C=C2)CN3C4=CC=CC=C4C(=O)C3=O

>  <InChI Std. ID>
InChI=1S/C19H15N3O2/c1-21-12-15(10-20-21)14-8-6-13(7-9-14)11-22-17-5-3-2-4-16(17)18(23)19(22)24/h2-10,12H,11H2,1H3

>  <InChI Key>
FZOKIVAOPLLMAV-UHFFFAOYSA-N

