195596
  -OEChem-05221303572D

 44 46  0     1  0  0  0  0  0999 V2000
    2.0000    0.8575    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2607   -0.2214    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.6425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0376    1.1599    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7788    0.1939    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3010    2.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    0.7122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4835   -0.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4347    0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2437   -1.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2266   -0.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9337    0.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4854   -1.4461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2795    0.5596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3782    1.6779    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6188    2.6748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6879    2.2344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1018   -1.3393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9257   -1.2853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5138    0.8145    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9239    1.3318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3324    0.9636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8149    0.3331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9060   -1.5692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7044   -1.4641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7882   -0.9186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3721   -0.2115    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8865   -1.6066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6459   -2.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3721    0.6653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0843   -1.2857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4953    0.6653    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.6675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.4775    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.9525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2 13  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 11  1  0  0  0  0
  6 22  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 34  1  0  0  0  0
 13 16  1  0  0  0  0
 14 35  1  0  0  0  0
 14 38  1  0  0  0  0
 14 40  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 41  1  0  0  0  0
 18 20  2  0  0  0  0
 18 42  1  0  0  0  0
 19 21  2  0  0  0  0
 19 43  1  0  0  0  0
 20 21  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
195596

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
365

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAEAAAAAAAAAAAAAAAAAAAAAAA8WIAAAAAWAAABAAAAHgIAAAAADSrBmCQyAIMAAACIAiFSEACCAAAkBQAIiAEIBsgIIDKB1xGEIQhghgCIiYcYiACOBAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(4-chlorophenyl)-(7-isopropyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

> <PUBCHEM_IUPAC_CAS_NAME>
(4-chlorophenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

> <PUBCHEM_IUPAC_NAME>
(4-chlorophenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(4-chlorophenyl)-(7-propan-2-yl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(4-chlorophenyl)-(7-isopropyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H23ClN2O/c1-12(2)19-8-13-7-14(9-19)11-20(10-13)17(21)15-3-5-16(18)6-4-15/h3-6,12-14H,7-11H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
FTABKDGWKNKXQJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
306.149891

> <PUBCHEM_MOLECULAR_FORMULA>
C17H23ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
306.83032

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)N1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)N1CC2CC(C1)CN(C2)C(=O)C3=CC=C(C=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
23.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
306.149891

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
16  17  8
16  18  8
17  19  8
18  20  8
19  21  8
20  21  8
5  7  3
6  7  3

$$$$