null
  CDK     0225161909
null
 30 33  0  0  0  0  0  0  0  0999 V2000
   -6.0599    0.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5750   -0.4650    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9106   -1.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7545   -0.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2696   -1.0462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4491   -0.9600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8971   -1.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296   -0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6166    0.1350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0366   -0.2455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3722    0.5082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0686   -2.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8532   -2.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0248   -3.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4117   -3.9940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6270   -3.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4555   -2.9321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9 11  1  0  0  0  0 
 11  6  1  0  0  0  0 
 11 12  2  0  0  0  0 
  8 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 19  1  0  0  0  0 
 19 20  2  0  0  0  0 
 20 15  1  0  0  0  0 
 18 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 17  1  0  0  0  0 
  7 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  2  0  0  0  0 
 28 29  1  0  0  0  0 
 29 30  2  0  0  0  0 
 30 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:121274

> <NAME>
LSM-32717

> <STAR>
2

> <FORMULA>
C22H23N3O5

> <MASS>
409.436

> <MONOISOTOPIC_MASS>
409.16377

> <CHARGE>
0

> <SMILES>
CN(C)CCN1C(C(C(=O)C1=O)C(=O)C2=CC3=C(C=C2)OCCO3)C4=CC=CC=N4

> <INCHI>
InChI=1S/C22H23N3O5/c1-24(2)9-10-25-19(15-5-3-4-8-23-15)18(21(27)22(25)28)20(26)14-6-7-16-17(13-14)30-12-11-29-16/h3-8,13,18-19H,9-12H2,1-2H3

> <INCHIKEY>
CULRBVJGSSAXKJ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-32717

$$$$