null
  CDK     0224162150
null
 24 26  0  0  0  0  0  0  0  0999 V2000
   -2.1434   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.3645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4694   -1.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0215   -1.9275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6090   -2.6420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8020   -2.4705    0.0000 N   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 
  2  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 
  8 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
 14  7  1  0  0  0  0 
 13 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 15 17  1  0  0  0  0 
 17 18  1  0  0  0  0 
 19 18  1  4  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 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 20  1  0  0  0  0 
M  END
> <ID>
CHEBI:91633

> <NAME>
6-tert-butyl-N'-(2-pyrrolylidenemethyl)-2,3-dihydro-1,4-benzodioxin-3-carbohydrazide

> <STAR>
2

> <FORMULA>
C18H21N3O3

> <MASS>
327.378

> <MONOISOTOPIC_MASS>
327.15829

> <CHARGE>
0

> <SMILES>
CC(C)(C)C1=CC2=C(C=C1)OCC(O2)C(=O)NNC=C3C=CC=N3

> <INCHI>
InChI=1S/C18H21N3O3/c1-18(2,3)12-6-7-14-15(9-12)24-16(11-23-14)17(22)21-20-10-13-5-4-8-19-13/h4-10,16,20H,11H2,1-3H3,(H,21,22)

> <INCHIKEY>
YYYWWTOMMQWIMR-UHFFFAOYSA-N

> <LINCS_ACCESSION>
LSM-1460

$$$$