15945679
  -OEChem-05132408042D

 43 46  0     1  0  0  0  0  0999 V2000
    4.3711   -0.0936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8831    2.5034    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6059    0.9313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3616   -2.8395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6197    1.5208    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.3609    0.5549    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0186    1.0120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7598    0.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5865    1.2096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1399   -0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3108    0.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3831    3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708    1.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1748   -1.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9805    1.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3267   -1.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    2.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4438   -1.3706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3746    2.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5957   -1.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157    0.7921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5136   -3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6306   -2.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9891    2.0188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4437   -0.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6126    0.8342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2136    1.6005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5649   -0.5425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3538   -0.1317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9200    3.6794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0731    3.9064    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8462    3.0594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2031    2.5725    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7222   -1.6013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5971    3.2214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4221   -0.7510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9929    2.9959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483   -1.6095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    0.2173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5352   -3.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3860    1.4939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1048   -3.2285    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3 15  1  0  0  0  0
  3 21  2  0  0  0  0
  4 16  1  0  0  0  0
  4 22  2  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 25  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 11  1  0  0  0  0
 10 14  2  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 15  1  0  0  0  0
 13 34  1  0  0  0  0
 14 16  1  0  0  0  0
 14 35  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  2  0  0  0  0
 17 19  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  1  0  0  0  0
 18 37  1  0  0  0  0
 19 23  2  0  0  0  0
 19 38  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 23  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15945679

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
507

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAABgAAAAAB4AAAHgAAAAAADCzBlgQ+gJMIEACoA7R3RACCgCAxAiAI2CE4ZNgIIPrAkZGEIAhggADIyYcYiACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(2Z,4Z)-8-methyl-2,4-bis(2-pyridylmethylene)-8-azabicyclo[3.2.1]octan-3-one

> <PUBCHEM_IUPAC_CAS_NAME>
(2Z,4Z)-8-methyl-2,4-bis(2-pyridinylmethylidene)-8-azabicyclo[3.2.1]octan-3-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(2<I>Z</I>,4<I>Z</I>)-8-methyl-2,4-bis(pyridin-2-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one

> <PUBCHEM_IUPAC_NAME>
(2Z,4Z)-8-methyl-2,4-bis(pyridin-2-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(2Z,4Z)-8-methyl-2,4-bis(pyridin-2-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(2Z,4Z)-8-methyl-2,4-bis(2-pyridylmethylene)-8-azabicyclo[3.2.1]octan-3-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H19N3O/c1-23-18-8-9-19(23)17(13-15-7-3-5-11-22-15)20(24)16(18)12-14-6-2-4-10-21-14/h2-7,10-13,18-19H,8-9H2,1H3/b16-12-,17-13-

> <PUBCHEM_IUPAC_INCHIKEY>
JMGRVFAALAEULJ-MCOFMCJXSA-N

> <PUBCHEM_XLOGP3_AA>
2.1

> <PUBCHEM_EXACT_MASS>
317.152812238

> <PUBCHEM_MOLECULAR_FORMULA>
C20H19N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
317.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2CCC1C(=CC3=CC=CC=N3)C(=O)C2=CC4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2/C(=C/C3=CC=CC=N3)/C(=O)/C(=C\C4=CC=CC=N4)/C1CC2

> <PUBCHEM_CACTVS_TPSA>
46.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
317.152812238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
2

> <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  17  8
16  18  8
17  19  8
18  20  8
19  23  8
20  24  8
21  23  8
22  24  8
3  15  8
3  21  8
4  16  8
4  22  8
5  7  3
6  8  3

$$$$