null
  CDK     0224162200
null
 26 30  0  0  0  0  0  0  0  0999 V2000
    6.1288   -0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815   -0.2604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2105    0.4764    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0341    0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4868    1.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1158    1.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2921    1.9031    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8395    1.2133    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0158    1.2605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448    1.9973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0975    2.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9211    2.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7281    1.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9948    1.9902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3008    1.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3400    0.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0733    0.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7673    0.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632    0.5707    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9342   -0.1661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7578   -0.2133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4815   -0.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6579   -0.8087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8525   -1.5927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3998   -2.2825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7708   -3.0194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  3  2  1  6  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 
  8  7  1  6  0  0  0 
  8  3  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  1  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 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 13  1  0  0  0  0 
 18 19  1  0  0  0  0 
 19  9  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21  3  1  0  0  0  0 
 20 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  END
> <ID>
CHEBI:94487

> <NAME>
LSM-5249

> <STAR>
2

> <FORMULA>
C22H26N2O2

> <MASS>
350.455

> <MONOISOTOPIC_MASS>
350.19943

> <CHARGE>
0

> <SMILES>
CC[C@@]12CCCN3[C@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC

> <INCHI>
InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22-/m0/s1

> <INCHIKEY>
DDNCQMVWWZOMLN-UNMCSNQZSA-N

> <LINCS_ACCESSION>
LSM-5249

$$$$