208851
  -OEChem-04242422002D

 34 36  0     1  0  0  0  0  0999 V2000
    6.2619    0.1276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -2.1657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.6771    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -3.3224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.9324    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    0.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -1.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    2.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    2.6272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781    3.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318    3.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103    3.7839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2908    1.0286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3715   -2.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5359   -1.3356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    1.6276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7144    2.4993    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.6824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8848    3.1675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177    4.0392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029    4.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2177   -3.7839    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -3.4503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 17  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7 12  2  0  0  0  0
  9 13  2  0  0  0  0
  9 14  1  0  0  0  0
 10 17  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 15  1  0  0  0  0
 11 24  1  0  0  0  0
 12 16  1  0  0  0  0
 12 25  1  0  0  0  0
 13 18  1  0  0  0  0
 13 26  1  0  0  0  0
 14 19  2  0  0  0  0
 14 27  1  0  0  0  0
 15 16  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
208851

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
390

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7MAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHgAQAAAADQjBmAQwwINAAACIAiVSUACCAAAhAgAIiAGIZIgIYDLAlbGUIAhglgDIyAcciMCOgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-oxo-3-phenyl-indolin-1-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-oxo-3-phenyl-3H-indol-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-oxo-3-phenyl-3<I>H</I>-indol-1-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2-oxo-3-phenyl-3H-indol-1-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-oxidanylidene-3-phenyl-3H-indol-1-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2-keto-3-phenyl-indolin-1-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H14N2O2/c17-14(19)10-18-13-9-5-4-8-12(13)15(16(18)20)11-6-2-1-3-7-11/h1-9,15H,10H2,(H2,17,19)

> <PUBCHEM_IUPAC_INCHIKEY>
MVZYGLQQNPFARE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
266.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C16H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
266.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C2C3=CC=CC=C3N(C2=O)CC(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C2C3=CC=CC=C3N(C2=O)CC(=O)N

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
266.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
11  15  8
12  16  8
13  18  8
14  19  8
15  16  8
18  20  8
19  20  8
5  9  3
6  11  8
6  7  8
7  12  8
9  13  8
9  14  8

$$$$