67566708
  -OEChem-05082400082D

 78 82  0     1  0  0  0  0  0999 V2000
    8.9282   -3.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -5.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    3.8660    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6962    3.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1962    4.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -4.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    3.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    2.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196    1.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.9174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082   -0.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    0.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -2.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407   -1.3923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6962    4.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.1077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -2.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5252    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    3.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932   -4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7331    5.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8862    5.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6592    4.4220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3312    4.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 36  1  0  0  0  0
  3 19  1  0  0  0  0
  3 21  1  0  0  0  0
  4 25  2  0  0  0  0
  5 26  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 58  1  0  0  0  0
  8 15  1  0  0  0  0
  8 20  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 12  1  0  0  0  0
 10 42  1  0  0  0  0
 10 43  1  0  0  0  0
 11 13  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 16  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  1  0  0  0  0
 15 52  1  0  0  0  0
 16 17  1  0  0  0  0
 16 53  1  0  0  0  0
 16 54  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 57  1  0  0  0  0
 20 21  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 61  1  0  0  0  0
 21 62  1  0  0  0  0
 22 27  1  0  0  0  0
 22 63  1  0  0  0  0
 23 28  2  0  0  0  0
 23 64  1  0  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
 25 31  1  0  0  0  0
 26 33  1  0  0  0  0
 27 32  2  0  0  0  0
 27 65  1  0  0  0  0
 28 32  1  0  0  0  0
 28 66  1  0  0  0  0
 29 34  1  0  0  0  0
 29 67  1  0  0  0  0
 30 35  2  0  0  0  0
 30 68  1  0  0  0  0
 31 69  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 72  1  0  0  0  0
 33 37  2  0  0  0  0
 33 38  1  0  0  0  0
 34 36  2  0  0  0  0
 35 36  1  0  0  0  0
 35 73  1  0  0  0  0
 37 39  1  0  0  0  0
 37 74  1  0  0  0  0
 38 40  2  0  0  0  0
 38 75  1  0  0  0  0
 39 41  2  0  0  0  0
 39 76  1  0  0  0  0
 40 41  1  0  0  0  0
 40 77  1  0  0  0  0
 41 78  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67566708

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
855

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/MAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABUAAAHgIQAAAADL7hmCYyAIPABACIAiFSEACCAAAkBQAIikEIDsgKJjKB9xmHMQhk1gGYqYeY2OKOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-[3-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-3-yl]propyl]-4-phenyl-4-piperidyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-[3-[4-benzoyl-2-(3,4-dichlorophenyl)-3-morpholinyl]propyl]-4-phenyl-4-piperidinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-[3-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-3-yl]propyl]-4-phenylpiperidin-4-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[1-[3-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-3-yl]propyl]-4-phenylpiperidin-4-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-[3-[2-(3,4-dichlorophenyl)-4-(phenylcarbonyl)morpholin-3-yl]propyl]-4-phenyl-piperidin-4-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-[3-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-3-yl]propyl]-4-phenyl-4-piperidyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C33H37Cl2N3O3/c1-24(39)36-33(27-11-6-3-7-12-27)16-19-37(20-17-33)18-8-13-30-31(26-14-15-28(34)29(35)23-26)41-22-21-38(30)32(40)25-9-4-2-5-10-25/h2-7,9-12,14-15,23,30-31H,8,13,16-22H2,1H3,(H,36,39)

> <PUBCHEM_IUPAC_INCHIKEY>
JGOJKCWPZIMPJN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.8

> <PUBCHEM_EXACT_MASS>
593.2211974

> <PUBCHEM_MOLECULAR_FORMULA>
C33H37Cl2N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
594.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1(CCN(CC1)CCCC2C(OCCN2C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1(CCN(CC1)CCCC2C(OCCN2C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
61.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
593.2211974

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <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>
15  17  3
18  22  8
18  23  8
19  24  3
22  27  8
23  28  8
24  29  8
24  30  8
27  32  8
28  32  8
29  34  8
30  35  8
33  37  8
33  38  8
34  36  8
35  36  8
37  39  8
38  40  8
39  41  8
40  41  8

$$$$