null
  CDK     0224162150
null
 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.5380    3.1152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1255    3.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3098    3.9526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2950    3.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2334    2.5688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4483    2.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2366    2.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9478    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6623    2.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3768    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0912    2.5688    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057    1.3313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202    2.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2347    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9491    2.5688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6636    2.1563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6636    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9491    0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2347    1.3313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202    3.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057    3.8063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8057    4.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5202    5.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2347    4.6313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2347    3.8063    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  1  1  0  0  0  0 
  5  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 12 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 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 15  1  0  0  0  0 
 14 21  1  0  0  0  0 
 21 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  2  0  0  0  0 
 26 21  1  0  0  0  0 
M  END
> <ID>
CHEBI:91621

> <NAME>
N-[3-(1-azepanyl)propyl]-2-cyclohexyl-2-phenylacetamide

> <STAR>
2

> <FORMULA>
C23H36N2O

> <MASS>
356.546

> <MONOISOTOPIC_MASS>
356.28276

> <CHARGE>
0

> <SMILES>
C1CCCN(CC1)CCCNC(=O)C(C2CCCCC2)C3=CC=CC=C3

> <INCHI>
InChI=1S/C23H36N2O/c26-23(24-16-11-19-25-17-9-1-2-10-18-25)22(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3,5-6,12-13,21-22H,1-2,4,7-11,14-19H2,(H,24,26)

> <INCHIKEY>
AGKAAJMNNVUNDK-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-1443

$$$$