
 SMR000032427

 42 44  0  0  0  0  0  0  0  0999 V2000
    0.8020    1.0632   -0.2180 C   0  0  0  0  0
   -0.6652    0.6347   -0.3176 C   0  0  0  0  0
   -0.8208   -0.4837   -1.2011 O   0  0  0  0  0
   -0.0784   -1.6095   -0.7086 C   0  0  0  0  0
    1.4156   -1.2919   -0.6196 C   0  0  0  0  0
    1.6724   -0.0636    0.1376 N   0  0  0  0  0
    2.9164    0.0745    0.7455 C   0  0  0  0  0
    3.7096   -0.8643    0.8214 O   0  0  0  0  0
    3.2492    1.4379    1.3171 C   0  0  0  0  0
    4.6212    1.4376    1.9799 C   0  0  0  0  0
    4.9902    2.7738    2.4397 N   0  0  0  0  0
    4.5785    3.2154    3.6881 C   0  0  0  0  0
    3.8932    2.5696    4.4779 O   0  0  0  0  0
    5.0252    4.5697    4.0702 C   0  0  0  0  0
    5.7111    5.3325    3.2185 C   0  0  0  0  0
    5.9843    4.7660    1.8777 C   0  0  0  0  0
    5.6543    3.5613    1.5253 N   0  0  0  0  0
    6.7035    5.6353    0.9010 C   0  0  0  0  0
    7.5397    5.0274   -0.0459 C   0  0  0  0  0
    8.2274    5.8028   -0.9815 C   0  0  0  0  0
    8.0782    7.1883   -0.9822 C   0  0  0  0  0
    7.2358    7.7997   -0.0547 C   0  0  0  0  0
    6.5446    7.0271    0.8829 C   0  0  0  0  0
    1.1527    1.4288   -1.1903 H   0  0  0  0  0
    0.8948    1.8777    0.5039 H   0  0  0  0  0
   -1.2691    1.4585   -0.7099 H   0  0  0  0  0
   -1.0640    0.3683    0.6686 H   0  0  0  0  0
   -0.4783   -1.8989    0.2706 H   0  0  0  0  0
   -0.2426   -2.4451   -1.3966 H   0  0  0  0  0
    1.9508   -2.1396   -0.1802 H   0  0  0  0  0
    1.8194   -1.1228   -1.6251 H   0  0  0  0  0
    2.4859    1.7143    2.0527 H   0  0  0  0  0
    3.2361    2.1719    0.5029 H   0  0  0  0  0
    5.3968    1.0888    1.2877 H   0  0  0  0  0
    4.6239    0.7548    2.8384 H   0  0  0  0  0
    4.7794    4.8927    5.0730 H   0  0  0  0  0
    6.0765    6.3093    3.5003 H   0  0  0  0  0
    7.6628    3.9459   -0.0578 H   0  0  0  0  0
    8.8764    5.3235   -1.7104 H   0  0  0  0  0
    8.6123    7.7911   -1.7127 H   0  0  0  0  0
    7.1101    8.8797   -0.0681 H   0  0  0  0  0
    5.8703    7.5297    1.5697 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  5 31  1  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 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 17  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 18  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 38  1  0  0  0
 20 21  2  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 22 23  2  0  0  0
 22 41  1  0  0  0
 23 42  1  0  0  0
M  END

>  <Chemical Name>
SMR000032427

>  <PubChem CID>
3240222

>  <Formula>
C17H19N3O3

>  <Molecular Weight>
313.357000

>  <IUPAC Name>
2-(3-morpholin-4-yl-3-oxopropyl)-6-phenylpyridazin-3-one

>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1COCCN1C(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3

>  <Isomeric SMILES>
C1COCCN1C(=O)CCN2C(=O)C=CC(=N2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C17H19N3O3/c21-16(19-10-12-23-13-11-19)8-9-20-17(22)7-6-15(18-20)14-4-2-1-3-5-14/h1-7H,8-13H2

>  <InChI Key>
AAZLYLAIDHSNHB-UHFFFAOYSA-N

