66525149
  -OEChem-04232409122D

 36 38  0     1  0  0  0  0  0999 V2000
    2.0000   -0.7095    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.8973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -1.7095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.0458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.5142    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.2025    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1226    1.4087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.2520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.3592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.9048    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.7654    3.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5374    1.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432    0.7891    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364    1.3214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540   -0.3677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    0.1646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294    2.2388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0937    1.4589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802    2.0672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    2.8472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068   -0.4654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    0.5072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2918    3.4312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    3.6788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -3.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.3295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -2.5195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  9  1  0  0  0  0
  2 12  1  0  0  0  0
  3 14  2  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 30  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 20  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 15  2  0  0  0  0
 13 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66525149

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
339

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAEAAAAAAAAAAAAAAAAAWAAAAA0QAAAAAAAAFgBAAAAHgIQAAAADSrhmCYwwILABACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GWIAhmlADIyAecmIKOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-chloro-3-(tetrahydropyran-3-ylmethylamino)indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-(3-oxanylmethylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-(oxan-3-ylmethylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-(oxan-3-ylmethylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-(oxan-3-ylmethylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-chloro-3-(tetrahydropyran-3-ylmethylamino)oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H17ClN2O2/c15-10-3-4-12-11(6-10)13(14(18)17-12)16-7-9-2-1-5-19-8-9/h3-4,6,9,13,16H,1-2,5,7-8H2,(H,17,18)

> <PUBCHEM_IUPAC_INCHIKEY>
QYSHJWGIZZFPGL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
280.0978555

> <PUBCHEM_MOLECULAR_FORMULA>
C14H17ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
280.75

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC(COC1)CNC2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC(COC1)CNC2C3=C(C=CC(=C3)Cl)NC2=O

> <PUBCHEM_CACTVS_TPSA>
50.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.0978555

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  15  8
13  16  8
15  17  8
16  18  8
17  19  8
18  19  8
11  4  3
6  8  3

$$$$