3396
  -OEChem-05102408392D

 66 70  0     1  0  0  0  0  0999 V2000
    8.0000   -4.4292    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9651    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788   -0.9931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878    1.5760    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    9.0000    0.7670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388    0.2670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0000    0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000    1.6330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5878   -0.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5388    1.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000    0.7670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2788    2.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3006    2.7350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9479    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9916    3.6860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6389    4.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6607    4.4292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -2.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000   -3.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0000   -2.6971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -0.0990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -3.5631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -0.9651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826    1.8451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923    2.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3923   -0.7096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0826   -0.3111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077    2.2436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174    1.8451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9174   -0.3111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6077   -0.7096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1554    1.2022    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6677    1.8734    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1077    1.3776    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4174    0.9790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0404   -0.0974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3923   -0.7096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0826   -0.3111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6077    0.5115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9174    0.1130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200   -0.9651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8858    2.2742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5544    3.1413    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852    3.8149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0537    4.6820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4691    5.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3800   -2.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100   -2.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8100   -1.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8100    0.4379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1900   -4.1001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900   -2.3680    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6200   -2.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1900    0.4379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3 12  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 11  1  0  0  0  0
  9 38  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  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
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 14 46  1  0  0  0  0
 14 47  1  0  0  0  0
 15 19  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 18  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 53  1  0  0  0  0
 19 23  1  0  0  0  0
 19 54  1  0  0  0  0
 20 24  2  0  0  0  0
 20 55  1  0  0  0  0
 21 26  2  0  0  0  0
 21 28  1  0  0  0  0
 22 27  2  0  0  0  0
 22 29  1  0  0  0  0
 23 25  2  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
 26 30  1  0  0  0  0
 26 59  1  0  0  0  0
 27 31  1  0  0  0  0
 27 60  1  0  0  0  0
 28 32  2  0  0  0  0
 28 61  1  0  0  0  0
 29 33  2  0  0  0  0
 29 62  1  0  0  0  0
 30 34  2  0  0  0  0
 30 63  1  0  0  0  0
 31 35  2  0  0  0  0
 31 64  1  0  0  0  0
 32 34  1  0  0  0  0
 32 65  1  0  0  0  0
 33 35  1  0  0  0  0
 33 66  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
3396

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
653

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IYAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAAABUAAAHwAQAAAADYjBmAwxwIPAAACIAiVSUACCAAAhAgAIiIGIZIiIYDLA0bGUIAhogwLIyCcUgMAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_NAME>
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)

> <PUBCHEM_IUPAC_INCHIKEY>
QOYHHIBFXOOADH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
5.6

> <PUBCHEM_EXACT_MASS>
475.24351894

> <PUBCHEM_MOLECULAR_FORMULA>
C29H31F2N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
475.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

> <PUBCHEM_CACTVS_TPSA>
35.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
475.24351894

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  19  8
15  20  8
19  23  8
20  24  8
21  26  8
21  28  8
22  27  8
22  29  8
23  25  8
24  25  8
26  30  8
27  31  8
28  32  8
29  33  8
30  34  8
31  35  8
32  34  8
33  35  8

$$$$