null
  CDK     0225161913
null
 27 30  0  0  0  0  0  0  0  0999 V2000
   -3.3351    1.6372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7537    0.9262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3473    0.2083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5223    0.2012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1037    0.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2788    0.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8724    0.1871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2910   -0.5238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1160   -0.5168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0474    0.1800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3712    0.8910    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1961    0.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7155    0.1952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1839   -0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -0.5379    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5437    0.1750    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2606    0.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7750   -0.5500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4357   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9173   -1.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7382   -1.8897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0775   -1.1377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5959   -0.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9352    0.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2745    1.0361    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1832    0.6234    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6872   -0.0552    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  4  0  0  0 
  2  3  2  0  0  0  0 
  3  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  9  2  0  0  0  0 
  9  4  1  0  0  0  0 
  7 10  1  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  1  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 15 14  1  1  0  0  0 
 15 10  1  0  0  0  0 
 15 16  1  0  0  0  0 
 16 11  1  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  2  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  2  0  0  0  0 
 23 18  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 24 27  1  0  0  0  0 
M  END
> <ID>
CHEBI:126711

> <NAME>
LSM-38274

> <STAR>
2

> <FORMULA>
C22H23F3N2

> <MASS>
372.427

> <MONOISOTOPIC_MASS>
372.18133

> <CHARGE>
0

> <SMILES>
CC=CC1=CC=C(C=C1)C2[C@H]3CNC[C@@H]2N3CC4=CC=CC=C4C(F)(F)F

> <INCHI>
InChI=1S/C22H23F3N2/c1-2-5-15-8-10-16(11-9-15)21-19-12-26-13-20(21)27(19)14-17-6-3-4-7-18(17)22(23,24)25/h2-11,19-21,26H,12-14H2,1H3/t19-,20+,21?

> <INCHIKEY>
RRYDRTATJZLKKF-WCRBZPEASA-N

> <LINCS_ACCESSION>
LSM-38274

$$$$