CDK     0521202331

 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.2964    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6111   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2964   -1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2907   -2.9981    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5870   -3.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2489   -3.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5812   -5.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8775   -6.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5395   -5.8509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1785   -5.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4757   -6.0180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4720   -7.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1711   -8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8739   -7.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8332   -8.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964   -1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929   -0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5929    0.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2964    1.4973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7789   -5.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0757   -6.0290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1176   -5.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 11 12  1  0  0  0  0 
 17  1  1  0  0  0  0 
 12 13  2  0  0  0  0 
  5  6  1  0  0  0  0 
 13 14  1  0  0  0  0 
  2  3  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15  9  1  0  0  0  0 
  5  7  1  1  0  0  0 
 15 16  1  0  0  0  0 
  6  8  1  0  0  0  0 
 17 18  2  0  0  0  0 
  3  4  2  0  0  0  0 
 18 19  1  0  0  0  0 
  8  9  1  0  0  0  0 
 19 20  2  0  0  0  0 
  4 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
  8 10  2  0  0  0  0 
 21 22  2  0  0  0  0 
 22 17  1  0  0  0  0 
  1  2  2  0  0  0  0 
 12 23  1  0  0  0  0 
  9 11  2  0  0  0  0 
 23 24  1  0  0  0  0 
  4  5  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  END
> <ID>
CHEBI:149996

> <NAME>
2-Methyl-5-(methylaminomethyl)-N-[(1R)-1-naphthalen-1-ylethyl]benzamide

> <STAR>
2

> <FORMULA>
C22H24N2O

> <MASS>
332.447

> <MONOISOTOPIC_MASS>
332.18886

> <CHARGE>
0

> <SMILES>
C=1C2=C(C=CC=C2)C(=CC1)[C@H](NC(C=3C(=CC=C(C3)CNC)C)=O)C

> <INCHI>
InChI=1S/C22H24N2O/c1-15-11-12-17(14-23-3)13-21(15)22(25)24-16(2)19-10-6-8-18-7-4-5-9-20(18)19/h4-13,16,23H,14H2,1-3H3,(H,24,25)/t16-/m1/s1

> <INCHIKEY>
SIBDAZDNSVDATL-MRXNPFEDSA-N

$$$$