3156
  -OEChem-05012417462D

 58 61  0     1  0  0  0  0  0999 V2000
    3.7107    1.3587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3165   -3.0329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    1.6374    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1409   -1.4149    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9708    0.0986    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9708    0.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2798    1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5586   -0.7104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6618    1.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708   -0.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805   -0.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5531   -0.6059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4708    2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048   -1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    0.7475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368   -1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6059   -0.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7342   -2.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1354   -1.3104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3368    3.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3220   -3.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7232   -2.1194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1048   -2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    0.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8368   -2.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157   -1.1069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708   -2.9014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5832    0.1956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8462    0.7975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5898    1.5866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0014   -0.9822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7295   -1.3064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1104   -0.3341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3822   -0.0099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2588    3.2201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8602    2.5298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971    1.3223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3738   -1.0914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9877   -1.4563    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2202   -1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3035   -2.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927   -1.0386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9645   -0.7144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6468    2.6005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8738    3.4474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0268    3.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7647   -3.4092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4928   -3.7334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2372   -2.4661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1539   -1.6734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5678   -2.7114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929    1.0969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3834   -1.6818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708   -3.5214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860   -0.4051    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
 10 14  2  0  0  0  0
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 11 15  2  0  0  0  0
 11 17  1  0  0  0  0
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 12 35  1  0  0  0  0
 13 20  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 23  1  0  0  0  0
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 21 49  1  0  0  0  0
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 27 57  1  0  0  0  0
 28 58  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3156

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
487

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABQAAAHgAAAAAADwDhmAYyAIMABACIAiFSEAACAAAgAAAIiAEIAIgKIDKAlRGHIAAghgCYiAccicCPgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-pyrrolidin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-ethyl-4-[2-(4-morpholinyl)ethyl]-3,3-diphenyl-2-pyrrolidinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one

> <PUBCHEM_IUPAC_NAME>
1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenylpyrrolidin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-ethyl-4-(2-morpholin-4-ylethyl)-3,3-diphenyl-pyrrolidin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-ethyl-4-(2-morpholinoethyl)-3,3-diphenyl-2-pyrrolidone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H30N2O2/c1-2-26-19-22(13-14-25-15-17-28-18-16-25)24(23(26)27,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,22H,2,13-19H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
XFDJYSQDBULQSI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
378.230728204

> <PUBCHEM_MOLECULAR_FORMULA>
C24H30N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
378.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4

> <PUBCHEM_CACTVS_TPSA>
32.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
378.230728204

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
10  14  8
10  16  8
11  15  8
11  17  8
14  23  8
15  24  8
16  25  8
17  26  8
23  27  8
24  28  8
25  27  8
26  28  8
5  8  3

$$$$