null
  CDK     0224162155
null
 29 33  0  0  0  0  0  0  0  0999 V2000
    3.9567    1.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3082    1.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244    1.2252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3554    0.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9703   -0.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7541    0.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9230    0.9325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    1.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1535    1.7371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812    0.2688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5587   -1.1054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8887    0.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4388    0.7146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1814    1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7315    2.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5390    1.9443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7964    1.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2463    0.5457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0891    2.5592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8966    2.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352    0.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0524   -0.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2317   -0.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1063    0.4961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3765    1.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1973    1.0815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8086    1.6354    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186    2.2098    0.0000 C   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  2  0  0  0  0 
  4  5  1  0  0  0  0 
  6  5  1  6  0  0  0 
  6  7  1  0  0  0  0 
  7  2  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11  6  1  0  0  0  0 
 11 12  2  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 17 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
  4 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 22  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28  3  1  0  0  0  0 
  2 29  1  0  0  0  0 
M  END
> <ID>
CHEBI:93006

> <NAME>
LSM-3277

> <STAR>
2

> <FORMULA>
C23H23N3O3

> <MASS>
389.448

> <MONOISOTOPIC_MASS>
389.17394

> <CHARGE>
0

> <SMILES>
CC1(C2=C(C[C@@H]3N1C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C5=CC=CC=C5N2)C

> <INCHI>
InChI=1S/C23H23N3O3/c1-23(2)20-17(16-6-4-5-7-18(16)24-20)12-19-21(27)25(22(28)26(19)23)13-14-8-10-15(29-3)11-9-14/h4-11,19,24H,12-13H2,1-3H3/t19-/m0/s1

> <INCHIKEY>
ZTKRHVRDOBGROC-IBGZPJMESA-N

> <LINCS_ACCESSION>
LSM-3277

$$$$