66760936
  -OEChem-05112407282D

 41 42  0     0  0  0  0  0  0999 V2000
    2.0000    3.4849    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    2.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013    1.2677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.6802    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441   -0.4271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7225   -2.7406    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    3.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.7296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    2.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333   -1.5838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226   -0.6333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4118   -1.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.9849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7010   -2.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0546   -3.4849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0817    3.5988    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2933    3.8565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2411    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8344    0.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8195   -1.6712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4127   -2.2035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364   -0.5460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432   -0.0137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0256   -1.7027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4324   -1.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.1049    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301   -0.8886    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.6749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5731   -3.5535    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3076   -3.0747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8288   -2.3401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5932   -3.0708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6406   -3.9464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5161   -3.8990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 11  2  0  0  0  0
  3 15  2  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 34  1  0  0  0  0
  6 14  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 15  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 19  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 20 36  1  0  0  0  0
 20 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
66760936

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
389

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzMAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADArBmCQywIPAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglgDIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(5-chloro-2-oxo-indolin-1-yl)-N-[3-(dimethylamino)propyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[3-(dimethylamino)propyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(5-chloro-2-oxo-3<I>H</I>-indol-1-yl)-<I>N</I>-[3-(dimethylamino)propyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-(5-chloro-2-oxo-3H-indol-1-yl)-N-[3-(dimethylamino)propyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(5-chloranyl-2-oxidanylidene-3H-indol-1-yl)-N-[3-(dimethylamino)propyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(5-chloro-2-keto-indolin-1-yl)-N-[3-(dimethylamino)propyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H20ClN3O2/c1-18(2)7-3-6-17-14(20)10-19-13-5-4-12(16)8-11(13)9-15(19)21/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,20)

> <PUBCHEM_IUPAC_INCHIKEY>
RDQUHNGLGHXMQA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
309.1244046

> <PUBCHEM_MOLECULAR_FORMULA>
C15H20ClN3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
309.79

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCCNC(=O)CN1C(=O)CC2=C1C=CC(=C2)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCCNC(=O)CN1C(=O)CC2=C1C=CC(=C2)Cl

> <PUBCHEM_CACTVS_TPSA>
52.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
309.1244046

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
16  18  8
17  19  8
18  19  8
7  16  8
7  8  8
8  17  8

$$$$