null
  CDK     0224162331
null
 28 31  0  0  0  0  0  0  0  0999 V2000
   -0.5844   -1.8429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2226   -1.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4776   -0.8867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2845   -0.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8366   -1.3283    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -2.1129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7747   -2.2844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -1.7698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    2.3355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0223    1.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8293    1.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0842    2.4963    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  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  2  1  0  0  0  0 
  5  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  8 10  1  0  0  0  0 
 10 11  2  0  0  0  0 
 11 12  1  0  0  0  0 
 12 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 10  1  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 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 17  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 15  1  0  0  0  0 
 23 24  1  0  0  0  0 
 12 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  END
> <ID>
CHEBI:107935

> <NAME>
2-(2-methoxyethyl)-9-methyl-4-[(4-methyl-1-piperidinyl)-oxomethyl]-1-pyrido[3,4-b]indolone

> <STAR>
2

> <FORMULA>
C22H27N3O3

> <MASS>
381.469

> <MONOISOTOPIC_MASS>
381.20524

> <CHARGE>
0

> <SMILES>
CC1CCN(CC1)C(=O)C2=CN(C(=O)C3=C2C4=CC=CC=C4N3C)CCOC

> <INCHI>
InChI=1S/C22H27N3O3/c1-15-8-10-24(11-9-15)21(26)17-14-25(12-13-28-3)22(27)20-19(17)16-6-4-5-7-18(16)23(20)2/h4-7,14-15H,8-13H2,1-3H3

> <INCHIKEY>
NVJXEMYYMSDBAO-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-19312

$$$$