653186
  -OEChem-05092415212D

 67 70  0     1  0  0  0  0  0999 V2000
    9.6180    2.5731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6985   -3.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   -5.3944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5209   -2.1392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736   -4.1088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6180    0.8411    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061   -1.7560    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1180    3.4391    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3546   -0.1416    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0958   -1.1075    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3214   -0.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8748   -1.9731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0458   -1.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7863   -0.3392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3675   -1.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1446   -1.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1180    1.7071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6180    2.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9324   -2.7408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9927   -3.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6180    4.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2267   -2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191   -4.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794   -4.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2870   -2.7820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1180    5.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6180    4.3052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133   -3.7668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6180    6.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1180    5.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6180    6.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718   -6.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946   -1.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.0937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3592   -0.7615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1139   -1.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3164    0.1673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7071   -0.3689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4690   -2.4418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2914   -2.4323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9702   -2.0293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3941   -0.2169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7672    0.2805    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9830   -2.3885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8085   -2.3380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4823   -1.7928    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6971   -0.9913    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6431    2.1056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6431    1.3086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6311   -1.3574    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4980    3.4391    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3343   -1.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940   -4.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4980    5.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280    3.7682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3080    6.5742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7380    5.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280    6.5742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0732   -6.5122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9467   -6.4357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8703   -5.5623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3052   -1.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8022   -0.5438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840   -1.0468    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -4.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8923   -5.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -5.2013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 19  2  0  0  0  0
  3 24  1  0  0  0  0
  3 32  1  0  0  0  0
  4 25  1  0  0  0  0
  4 33  1  0  0  0  0
  5 28  1  0  0  0  0
  5 34  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7 13  1  0  0  0  0
  7 19  1  0  0  0  0
  7 50  1  0  0  0  0
  8 18  1  0  0  0  0
  8 21  1  0  0  0  0
  8 51  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 35  1  0  0  0  0
 10 12  1  0  0  0  0
 10 15  1  0  0  0  0
 10 36  1  0  0  0  0
 11 13  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 13  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 48  1  0  0  0  0
 17 49  1  0  0  0  0
 19 20  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 26  2  0  0  0  0
 21 27  1  0  0  0  0
 22 25  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  2  0  0  0  0
 23 53  1  0  0  0  0
 24 28  1  0  0  0  0
 25 28  2  0  0  0  0
 26 29  1  0  0  0  0
 26 54  1  0  0  0  0
 27 30  2  0  0  0  0
 27 55  1  0  0  0  0
 29 31  2  0  0  0  0
 29 56  1  0  0  0  0
 30 31  1  0  0  0  0
 30 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 32 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
 33 64  1  0  0  0  0
 34 65  1  0  0  0  0
 34 66  1  0  0  0  0
 34 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
653186

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
657

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAYAAABQAAAHgAQAAAADCzBmAYyxoPABACIAiVSUACCCAAlIgAIiIGO7MgNZzLE9buUMSpl1hXK6Ye6/J7OIAABCAAAQABAAAIQAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[9-(2-anilino-2-oxo-ethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxy-benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide

> <PUBCHEM_IUPAC_NAME>
N-[9-(2-anilino-2-oxoethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxybenzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3,4,5-trimethoxy-N-[9-(2-oxidanylidene-2-phenylazanyl-ethyl)-9-azabicyclo[3.3.1]nonan-3-yl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[9-(2-anilino-2-keto-ethyl)-9-azabicyclo[3.3.1]nonan-3-yl]-3,4,5-trimethoxy-benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H33N3O5/c1-32-22-12-17(13-23(33-2)25(22)34-3)26(31)28-19-14-20-10-7-11-21(15-19)29(20)16-24(30)27-18-8-5-4-6-9-18/h4-6,8-9,12-13,19-21H,7,10-11,14-16H2,1-3H3,(H,27,30)(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
GBPZEGDRVCGMTG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
467.24202116

> <PUBCHEM_MOLECULAR_FORMULA>
C26H33N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
467.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)NC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC(=CC(=C1OC)OC)C(=O)NC2CC3CCCC(C2)N3CC(=O)NC4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
89.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
467.24202116

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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>
10  15  3
20  22  8
20  23  8
21  26  8
21  27  8
22  25  8
23  24  8
24  28  8
25  28  8
26  29  8
27  30  8
29  31  8
30  31  8
9  14  3

$$$$