70680607
  -OEChem-05251316392D

 43 46  0     0  0  0  0  0  0999 V2000
    2.0000   -1.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192    3.0779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.4216    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655   -1.3831    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.4216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764   -0.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    1.3831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8600    0.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870   -1.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5870    2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9192   -1.9212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5655    2.5398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2298   -2.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8762   -2.3336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2083   -3.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -2.0042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -1.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.5533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7880    0.1610    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3894   -0.5293    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -2.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -2.3966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611    1.3884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.1984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4800    0.5784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3125   -1.7933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6934    1.9332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1722    2.6677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4377    3.1465    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8158   -3.3332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4828   -2.4615    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4009   -3.6672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  2 19  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  5 18  1  0  0  0  0
  5 23  2  0  0  0  0
  6 11  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 12  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  2  0  0  0  0
  8 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  2  0  0  0  0
 10 29  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70680607

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
452

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAFgB+AAAHgAAAAAADAzhngY+wLMMHACoA7R3RACCgCA3AiAI2CG4ZNgKIPLA1fGHJQhggADYyYcYicCeAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[7-morpholino-1-(2-pyridyl)indolizin-3-yl]ethanone

> <PUBCHEM_IUPAC_CAS_NAME>
1-[7-(4-morpholinyl)-1-(2-pyridinyl)-3-indolizinyl]ethanone

> <PUBCHEM_IUPAC_NAME>
1-(7-morpholin-4-yl-1-pyridin-2-ylindolizin-3-yl)ethanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(7-morpholin-4-yl-1-pyridin-2-yl-indolizin-3-yl)ethanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[7-morpholino-1-(2-pyridyl)indolizin-3-yl]ethanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H19N3O2/c1-14(23)18-13-16(17-4-2-3-6-20-17)19-12-15(5-7-22(18)19)21-8-10-24-11-9-21/h2-7,12-13H,8-11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
JNCJVBDKESBLNW-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
321.147727

> <PUBCHEM_MOLECULAR_FORMULA>
C19H19N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
321.37306

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC(=C2N1C=CC(=C2)N3CCOCC3)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC(=C2N1C=CC(=C2)N3CCOCC3)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
46.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
321.147727

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  17  8
14  17  8
15  16  8
18  20  8
20  22  8
22  24  8
23  24  8
4  14  8
4  16  8
4  9  8
5  18  8
5  23  8
8  10  8
8  15  8
9  10  8
9  13  8

$$$$