null
  CDK     0225161900
null
 28 30  0  0  0  0  0  0  0  0999 V2000
   -3.2229    1.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229    0.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373    0.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084    0.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084   -0.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7939   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7939   -1.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084   -2.3121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229   -1.8996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229   -1.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -2.3121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -3.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650   -3.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3650   -4.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -4.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7939   -4.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7939   -3.5496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5084   -4.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2229   -5.1996    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -5.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -6.4371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3495   -3.1371    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2879   -2.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8926   -1.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7084   -1.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1209   -2.5907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8195   -3.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0312   -3.6018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  2  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  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 12  1  0  0  0  0 
 16 18  1  0  0  0  0 
 18 19  3  0  0  0  0 
 15 20  1  0  0  0  0 
 20 21  3  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 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 
 28 22  1  0  0  0  0 
M  END
> <ID>
CHEBI:115058

> <NAME>
N-[3-[2-(1-azepanyl)-4,5-dicyanophenoxy]phenyl]acetamide

> <STAR>
2

> <FORMULA>
C22H22N4O2

> <MASS>
374.437

> <MONOISOTOPIC_MASS>
374.17428

> <CHARGE>
0

> <SMILES>
CC(=O)NC1=CC(=CC=C1)OC2=C(C=C(C(=C2)C#N)C#N)N3CCCCCC3

> <INCHI>
InChI=1S/C22H22N4O2/c1-16(27)25-19-7-6-8-20(13-19)28-22-12-18(15-24)17(14-23)11-21(22)26-9-4-2-3-5-10-26/h6-8,11-13H,2-5,9-10H2,1H3,(H,25,27)

> <INCHIKEY>
AVDKNUNMNZNUPV-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-26520

$$$$