null
  CDK     0224162331
null
 22 23  0  0  0  0  0  0  0  0999 V2000
    4.1801   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -2.9491    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1331   -4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8781   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0531   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7982   -4.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5682   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477   -5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4122   -4.8712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0766   -4.1175    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2628   -6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5984   -7.0460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4423   -6.2061    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0426   -6.8735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8631   -6.7873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -7.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1685   -7.3685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5040   -6.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0191   -5.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1986   -6.0336    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 
  2  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  4  1  0  0  0  0 
  9  7  1  4  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  3  0  0  0  0 
 10 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  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 
M  END
> <ID>
CHEBI:107621

> <NAME>
2-cyano-3-[5-(dimethylamino)-2-furanyl]-N-(phenylmethyl)-2-propenamide

> <STAR>
2

> <FORMULA>
C17H17N3O2

> <MASS>
295.336

> <MONOISOTOPIC_MASS>
295.13208

> <CHARGE>
0

> <SMILES>
CN(C)C1=CC=C(O1)C=C(C#N)C(=O)NCC2=CC=CC=C2

> <INCHI>
InChI=1S/C17H17N3O2/c1-20(2)16-9-8-15(22-16)10-14(11-18)17(21)19-12-13-6-4-3-5-7-13/h3-10H,12H2,1-2H3,(H,19,21)

> <INCHIKEY>
KSEMQYWKFQVZIB-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-18977

$$$$