44528705
  -OEChem-04192407492D

 74 78  0     1  0  0  0  0  0999 V2000
   10.0000    1.2010    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    2.9330    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8660   -1.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -2.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1340   -2.0311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -0.5311    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5000    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1340   -1.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680   -3.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1340   -4.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680   -2.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8660   -2.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4019   -5.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1340   -5.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2680   -5.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0000    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0000    1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000    2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    5.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    5.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0826    0.5470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3923    0.9455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9219   -0.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5234   -1.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8049   -3.2211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9174    0.1229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6077   -0.2756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3800    2.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750    1.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9750    2.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4174    0.9889    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077    0.5904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5826    3.1451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923    3.5436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    2.4655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    1.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899   -3.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913   -4.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7446   -4.1388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3460   -3.4485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6015   -3.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3985   -3.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0781   -2.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4766   -1.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913   -4.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1899   -5.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3460   -5.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7446   -4.9234    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8694   -6.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6665   -6.0060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8100   -0.2020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3800    1.2010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    3.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6200    4.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1900    2.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3800    4.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8100    6.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1900    6.0680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
  2 33  1  0  0  0  0
  3  7  1  0  0  0  0
  3 22  1  0  0  0  0
  4 20  2  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  9  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 11  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 39  1  0  0  0  0
  9 40  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 10 20  1  0  0  0  0
 10 41  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 15  1  0  0  0  0
 12 16  1  0  0  0  0
 12 26  1  0  0  0  0
 12 44  1  0  0  0  0
 13 15  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 14 16  1  0  0  0  0
 14 47  1  0  0  0  0
 14 48  1  0  0  0  0
 15 49  1  0  0  0  0
 15 50  1  0  0  0  0
 16 51  1  0  0  0  0
 16 52  1  0  0  0  0
 17 23  1  0  0  0  0
 17 53  1  0  0  0  0
 17 54  1  0  0  0  0
 18 24  1  0  0  0  0
 18 55  1  0  0  0  0
 18 56  1  0  0  0  0
 19 22  1  0  0  0  0
 19 57  1  0  0  0  0
 19 58  1  0  0  0  0
 21 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 25  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 25  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
 26 29  2  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 27 67  1  0  0  0  0
 28 32  2  0  0  0  0
 28 68  1  0  0  0  0
 29 34  1  0  0  0  0
 29 69  1  0  0  0  0
 30 35  2  0  0  0  0
 30 70  1  0  0  0  0
 31 33  2  0  0  0  0
 32 33  1  0  0  0  0
 32 71  1  0  0  0  0
 34 36  2  0  0  0  0
 34 72  1  0  0  0  0
 35 36  1  0  0  0  0
 35 73  1  0  0  0  0
 36 74  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
44528705

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
703

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAGAAAAAAAAAAAAAAAAAAAAAAA8eMECAAAAAAABQAAAHgIAAAAADUbhmCYwAIMABACIAiFSEAACAAAgBQAIikEICogKJjKBsxmHMAAmxgGYqAeYyOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenyl-1-piperidyl)ethyl]morpholin-4-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenyl-1-piperidinyl)ethyl]-4-morpholinyl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone

> <PUBCHEM_IUPAC_NAME>
cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidin-1-yl)ethyl]morpholin-4-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclohexyl-[2-(3,4-dichlorophenyl)-2-[2-(4-phenylpiperidino)ethyl]morpholino]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C30H38Cl2N2O2/c31-27-12-11-26(21-28(27)32)30(22-34(19-20-36-30)29(35)25-9-5-2-6-10-25)15-18-33-16-13-24(14-17-33)23-7-3-1-4-8-23/h1,3-4,7-8,11-12,21,24-25H,2,5-6,9-10,13-20,22H2

> <PUBCHEM_IUPAC_INCHIKEY>
HMIOKDUCMSQBKY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.7

> <PUBCHEM_EXACT_MASS>
528.2310338

> <PUBCHEM_MOLECULAR_FORMULA>
C30H38Cl2N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
529.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C(=O)N2CCOC(C2)(CCN3CCC(CC3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C(=O)N2CCOC(C2)(CCN3CCC(CC3)C4=CC=CC=C4)C5=CC(=C(C=C5)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
32.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
528.2310338

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
21  27  8
21  28  8
26  29  8
26  30  8
27  31  8
28  32  8
29  34  8
30  35  8
31  33  8
32  33  8
34  36  8
35  36  8
7  8  3

$$$$