-ISIS-  08251613402D

 30 33  0  0  0  0  0  0  0  0999 V2000
   -0.8708    0.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    1.8208    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   -1.7333    1.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0042    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7333    0.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8833   -0.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    2.3208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4750    2.8208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7958   -3.7167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7333    3.8208    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    0.8083   -2.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    0.3208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8542    3.3250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0375   -1.2042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0833   -4.2042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5208   -4.4083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000   -5.1833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0917   -5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8708    3.3333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542   -2.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4708    4.7958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9458   -3.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9208   -2.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7417    4.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958    3.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4583    3.8083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6083    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  1  0  0  0  0
  3  6  2  0  0  0  0
  4  1  1  0  0  0  0
  5  3  1  0  0  0  0
  6  1  1  0  0  0  0
  7  1  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  8  3  0  0  0  0
 11 13  2  0  0  0  0
 12 21  1  0  0  0  0
 13 22  1  0  0  0  0
 14  4  2  0  0  0  0
 15  5  2  0  0  0  0
 16  7  1  0  0  0  0
 17 24  2  0  0  0  0
 18 11  1  0  0  0  0
 19 17  1  0  0  0  0
 20 18  1  0  0  0  0
 21  9  1  0  0  0  0
 22 16  1  0  0  0  0
 23 29  1  0  0  0  0
 24 26  1  0  0  0  0
 25  6  1  0  0  0  0
 26 22  2  0  0  0  0
 27 12  1  0  0  0  0
 28 12  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
  5  2  1  0  0  0  0
 17 11  1  0  0  0  0
 20 19  1  0  0  0  0
 23 30  1  0  0  0  0
M  END
>  <ID> (STK991745)
STK991745

>  <Rotatable_Bonds> (STK991745)
2

>  <logP> (STK991745)
1.002

>  <PSA> (STK991745)
104.13

>  <H_Donors> (STK991745)
1

>  <H_Acceptors> (STK991745)
5

>  <Number_of_rings> (STK991745)
4

>  <NAME> (STK991745)
(5Z)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-4-methyl-1-[2-(morpholin-4-yl)ethyl]-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

>  <Mol_Weight> (STK991745)
410.43

>  <Mol_Formula> (STK991745)
C21H22N4O5

>  <Smiles> (STK991745)
N#CC1=C(C)/C(=C/Nc2ccc3c(c2)OCO3)/C(=O)N(C1=O)CCN1CCOCC1

$$$$