160410
  -OEChem-04262402142D

 40 43  0     1  0  0  0  0  0999 V2000
    3.6428    0.3664    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8601   -2.6952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7815   -1.6983    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5438   -0.0675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8430   -1.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7732   -0.2071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6376   -1.1049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203    1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6673    1.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0438    2.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0438    2.1231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950   -1.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3130   -0.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3383   -1.0809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    1.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6782    3.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0360   -3.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6494    3.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3417   -1.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2265   -1.1814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6736   -1.8427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5255    0.3613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708   -0.3539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2259    1.0723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0538    1.8260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6024    2.3921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9058    2.7276    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5037   -2.2082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4197   -2.9620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8406    0.2287    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8819   -1.3791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0071    0.9915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0704    3.5788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6848   -2.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5251   -3.6129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3873   -3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3866    2.5374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4252    3.8397    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 31  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 21  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 13  2  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  2  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
160410

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
342

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7AAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAABYAAAACxQAAAHAAQAAAADCjBGAQywIPAAACAAiRCQACCAAAhAgAIiIAIZIgIIGLA0ZGEIAhgkADIyAcQgMAOAAACAAACAAAAAAQAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine

> <PUBCHEM_IUPAC_CAS_NAME>
N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-methyl-1-azatetracyclo[8.7.1.0<SUP>2,7</SUP>.0<SUP>14,18</SUP>]octadeca-2,4,6,10(18),11,13-hexaen-15-amine

> <PUBCHEM_IUPAC_NAME>
N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-methyl-1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-amine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-15-yl(methyl)amine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H20N2/c1-19-16-11-12-20-17-8-3-2-5-13(17)9-10-14-6-4-7-15(16)18(14)20/h2-8,16,19H,9-12H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
AEOOLRRTECSMIN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
264.162648646

> <PUBCHEM_MOLECULAR_FORMULA>
C18H20N2

> <PUBCHEM_MOLECULAR_WEIGHT>
264.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CNC1CCN2C3=CC=CC=C3CCC4=C2C1=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CNC1CCN2C3=CC=CC=C3CCC4=C2C1=CC=C4

> <PUBCHEM_CACTVS_TPSA>
15.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
264.162648646

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
12  17  8
13  15  8
14  15  8
16  19  8
17  20  8
19  20  8
3  2  3
4  7  8
4  8  8
7  13  8
8  14  8
9  12  8
9  16  8

$$$$