null
  CDK     0225161908
null
 21 24  0  0  0  0  0  0  0  0999 V2000
   -1.2080    1.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8882    0.4443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0697    0.3410    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1480   -0.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8647   -0.8634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6604   -0.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1307   -0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8514    0.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347    1.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3390    1.0576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2330    0.4563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9915    0.1318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6517    0.6265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3120    1.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0705    0.7967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1688   -0.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5085   -0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7500   -0.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5535    1.4456    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950    1.7701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6967    2.5892    0.0000 O   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 
  3  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  1  0  0  0  0 
 10  3  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11  5  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 13  1  0  0  0  0 
 13 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20  9  1  0  0  0  0 
 20 21  2  0  0  0  0 
M  END
> <ID>
CHEBI:120512

> <NAME>
LSM-31955

> <STAR>
2

> <FORMULA>
C17H27N3O

> <MASS>
289.416

> <MONOISOTOPIC_MASS>
289.21541

> <CHARGE>
0

> <SMILES>
CCN1CC2CCCC3(C1)C2=NC4(CCCCC4)NC3=O

> <INCHI>
InChI=1S/C17H27N3O/c1-2-20-11-13-7-6-8-16(12-20)14(13)18-17(19-15(16)21)9-4-3-5-10-17/h13H,2-12H2,1H3,(H,19,21)

> <INCHIKEY>
ICFQVBLKMFUCBQ-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-31955

$$$$