21200646
  -OEChem-05201310542D

 85 90  0     1  0  0  0  0  0999 V2000
    2.0000   -1.3840    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.6160    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -1.3840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    3.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    6.5801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9641   -3.9820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    3.9820    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -3.1160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    4.8481    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.3840    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    4.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -3.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8301    5.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3301    4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    4.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8301    5.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3301    6.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -5.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -4.8481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -6.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9641   -5.7141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641   -6.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    2.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    3.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    3.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    2.5084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4082    1.0334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8067    1.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    1.7237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    1.0334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5422   -0.4666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9407    0.2237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.1986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.4916    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8301    4.6020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892   -1.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4892   -2.6485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3564   -3.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0467   -3.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4390   -2.6485    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4390   -1.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.4960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    4.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.4260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.3060    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    5.7360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7475    4.6360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4378    4.2375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3051    5.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3051    6.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    4.9260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2360    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9127    6.7922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2225    7.1907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    6.1126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3552    5.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3441   -5.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741   -4.3111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1541   -7.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5841   -5.7141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7741   -7.1171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
  2 40  1  0  0  0  0
  3 17  1  0  0  0  0
  3 23  1  0  0  0  0
  4 26  2  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 29  2  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 58  1  0  0  0  0
  9 20  1  0  0  0  0
  9 22  1  0  0  0  0
  9 29  1  0  0  0  0
 10 26  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 19  1  0  0  0  0
 12 14  1  0  0  0  0
 12 46  1  0  0  0  0
 12 47  1  0  0  0  0
 13 15  1  0  0  0  0
 13 48  1  0  0  0  0
 13 49  1  0  0  0  0
 14 50  1  0  0  0  0
 14 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 18  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 56  1  0  0  0  0
 18 57  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 59  1  0  0  0  0
 20 60  1  0  0  0  0
 21 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 61  1  0  0  0  0
 22 62  1  0  0  0  0
 23 63  1  0  0  0  0
 23 64  1  0  0  0  0
 24 30  1  0  0  0  0
 24 65  1  0  0  0  0
 25 31  2  0  0  0  0
 25 66  1  0  0  0  0
 27 35  1  0  0  0  0
 27 67  1  0  0  0  0
 28 36  2  0  0  0  0
 28 68  1  0  0  0  0
 29 39  1  0  0  0  0
 30 34  2  0  0  0  0
 30 69  1  0  0  0  0
 31 34  1  0  0  0  0
 31 70  1  0  0  0  0
 32 38  1  0  0  0  0
 32 73  1  0  0  0  0
 32 74  1  0  0  0  0
 33 37  1  0  0  0  0
 33 71  1  0  0  0  0
 33 72  1  0  0  0  0
 34 75  1  0  0  0  0
 35 40  2  0  0  0  0
 36 40  1  0  0  0  0
 36 76  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 38 77  1  0  0  0  0
 38 78  1  0  0  0  0
 39 41  2  0  0  0  0
 39 42  1  0  0  0  0
 41 43  1  0  0  0  0
 41 81  1  0  0  0  0
 42 44  2  0  0  0  0
 42 82  1  0  0  0  0
 43 45  2  0  0  0  0
 43 83  1  0  0  0  0
 44 45  1  0  0  0  0
 44 84  1  0  0  0  0
 45 85  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
21200646

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
979

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/uAAGAAAAAAAAAAAAAAAAAAAAAAA8ePECAAAAAAABUAAAHgIQAAAADM7hmCYxAIPABACIAiFSEACCAAAkBQAIikEIDsiKJjKB9xmHMQhu1gOYqYeYyOCOhAAAIAAAAAQIAABAAAAACAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME>
N-[1-[2-[4-benzoyl-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-phenylpiperidin-4-yl]morpholine-4-carboxamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C35H40Cl2N4O4/c36-30-12-11-29(25-31(30)37)35(26-41(21-24-45-35)32(42)27-7-3-1-4-8-27)15-18-39-16-13-34(14-17-39,28-9-5-2-6-10-28)38-33(43)40-19-22-44-23-20-40/h1-12,25H,13-24,26H2,(H,38,43)

> <PUBCHEM_IUPAC_INCHIKEY>
LAZGVHSGPPDOQC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
650.242661

> <PUBCHEM_MOLECULAR_FORMULA>
C35H40Cl2N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
651.6225

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC1(C2=CC=CC=C2)NC(=O)N3CCOCC3)CCC4(CN(CCO4)C(=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC1(C2=CC=CC=C2)NC(=O)N3CCOCC3)CCC4(CN(CCO4)C(=O)C5=CC=CC=C5)C6=CC(=C(C=C6)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
74.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
650.242661

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
45

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
17  18  3
19  24  8
19  25  8
21  27  8
21  28  8
24  30  8
25  31  8
27  35  8
28  36  8
30  34  8
31  34  8
35  40  8
36  40  8
39  41  8
39  42  8
41  43  8
42  44  8
43  45  8
44  45  8

$$$$