71785
  -OEChem-05142405062D

 50 53  0     1  0  0  0  0  0999 V2000
    4.3211   -0.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4737   -3.2683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.3109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.4676    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7014   -3.2417    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3019   -2.4420    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2781   -0.6397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6917   -1.4497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2297   -0.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9650   -4.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -3.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4836   -3.4092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.0771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4883    3.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3709    4.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1911   -3.9214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8122   -1.7623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6656   -0.5437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2467   -1.0180    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2007   -1.8283    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8481   -0.9916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3481   -0.3384    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6221   -4.5452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4714   -4.3864    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0718   -3.5867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9083   -2.7124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3963   -2.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8698   -3.4966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5710   -4.0230    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3815    0.7723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227    1.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227    2.6871    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519    3.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9905    4.0270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1248    4.1657    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9609    4.2192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1803    4.6186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809    3.8381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.6523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.4623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 38  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  1  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  6  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 20  2  0  0  0  0
 17 21  2  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 23  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  2  0  0  0  0
 22 49  1  0  0  0  0
 23 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71785

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
463

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWLAAAA8QAAABgAAAFgBAAAAHgAQAAAADijBGAQzwIPAAACIAiRCUACCAAAhAgAIiIAIZIiIICLA0ZGEIAholgLIyCcQgMAPgAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indoline-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3,3-dimethyl-<I>N</I>-[(1<I>S</I>,5<I>R</I>)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2<I>H</I>-indole-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-2H-indole-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3,3-dimethyl-N-[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]indoline-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H27N3O/c1-19(2)12-22(17-7-5-4-6-16(17)19)18(23)20-13-10-14-8-9-15(11-13)21(14)3/h4-7,13-15H,8-12H2,1-3H3,(H,20,23)/t13?,14-,15+

> <PUBCHEM_IUPAC_INCHIKEY>
ILXWRFDRNAKTDD-GOOCMWNKSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
313.215412493

> <PUBCHEM_MOLECULAR_FORMULA>
C19H27N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
313.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CN(C2=CC=CC=C21)C(=O)NC3CC4CCC(C3)N4C)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CN(C2=CC=CC=C21)C(=O)NC3C[C@H]4CC[C@@H](C3)N4C)C

> <PUBCHEM_CACTVS_TPSA>
35.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
313.215412493

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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  17  8
16  20  8
17  21  8
20  22  8
21  23  8
22  23  8
5  24  5
6  25  6

$$$$