160020
  -OEChem-05052415582D

 48 52  0     1  0  0  0  0  0999 V2000
    5.3365   -1.3370    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5687   -3.3933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204   -2.9623    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5275   -1.9248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7185   -1.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7167   -3.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0275   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8622   -1.8680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5033    2.2781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0275   -0.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8613   -2.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945   -1.7460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4114   -2.7810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0067    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    3.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5033    2.2743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4928    0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4966    4.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967    4.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5621    0.5080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0483    1.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6302   -3.5822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2978   -3.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887   -3.9040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6381   -1.2899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2527   -1.9817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1954    1.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2520   -2.7608    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6363   -3.4533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9134   -1.7829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4367   -1.1425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6311   -4.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6846   -3.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064   -2.6071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4765    2.7494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4734    3.5464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9216    2.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6134    1.6641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8729    0.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0784    4.2244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3866    4.6203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5235    3.5350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5266    2.7380    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6020    4.6173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9132    4.2161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1821    0.5008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3604    1.9498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  1 12  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 10  2  0  0  0  0
  7 17  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 28  1  0  0  0  0
 10 21  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 17  2  0  0  0  0
 14 22  1  0  0  0  0
 15 18  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 22  2  0  0  0  0
 21 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
160020

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
403

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFix8AAAHAAQAAAADSjBHgQwwPPMEACgAyRiRACCgCAhAiAI2KA4ZJgIYOLAkZGUIAhgkADIyAcQgMAOiAACAAACAAAQAASAAAQAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

> <PUBCHEM_IUPAC_CAS_NAME>
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

> <PUBCHEM_IUPAC_NAME_MARKUP>
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.0<SUP>5,16</SUP>.0<SUP>10,15</SUP>]hexadeca-9(16),10(15),11,13-tetraene

> <PUBCHEM_IUPAC_NAME>
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
12-cyclohexyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H26N2/c1-2-5-14(6-3-1)15-9-10-19-17(13-15)16-7-4-8-18-20(16)22(19)12-11-21-18/h9-10,13-14,18,21H,1-8,11-12H2

> <PUBCHEM_IUPAC_INCHIKEY>
AUXCHYJDVJZEPG-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.4

> <PUBCHEM_EXACT_MASS>
294.209598838

> <PUBCHEM_MOLECULAR_FORMULA>
C20H26N2

> <PUBCHEM_MOLECULAR_WEIGHT>
294.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)C2=CC3=C(C=C2)N4CCNC5C4=C3CCC5

> <PUBCHEM_CACTVS_TPSA>
17

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
294.209598838

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
1  10  8
1  4  8
10  21  8
14  17  8
14  22  8
21  22  8
3  6  3
4  5  8
5  7  8
7  10  8
7  17  8

$$$$