1566154
  -OEChem-05102420102D

 43 46  0     0  0  0  0  0  0999 V2000
    5.2531   -3.1756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.1178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674    0.2141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -1.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6103   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -2.0188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209   -2.4313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746   -2.9693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211   -0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.3095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.0416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    2.1756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2241   -1.3934    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308   -0.8611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814   -1.5309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -2.3108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3035   -2.9192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4678   -2.1392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6608   -3.0567    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2540   -3.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    3.5696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7956    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.9856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    3.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    3.5785    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    2.1756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  6 10  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 11  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  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 15  2  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 19  2  0  0  0  0
 17 35  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1566154

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
497

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHgAAAAAADAzhngY8wLMMHACoA7V3VACCgCA3AiAI2CG4ZNgKIPrA1bGHIQhghgDYyQcYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-morpholino-2-(2-phenylindolizin-3-yl)ethane-1,2-dione

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-morpholinyl)-2-(2-phenyl-3-indolizinyl)ethane-1,2-dione

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-morpholin-4-yl-2-(2-phenylindolizin-3-yl)ethane-1,2-dione

> <PUBCHEM_IUPAC_NAME>
1-morpholin-4-yl-2-(2-phenylindolizin-3-yl)ethane-1,2-dione

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-morpholin-4-yl-2-(2-phenylindolizin-3-yl)ethane-1,2-dione

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-morpholino-2-(2-phenylindolizin-3-yl)ethane-1,2-dione

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H18N2O3/c23-19(20(24)21-10-12-25-13-11-21)18-17(15-6-2-1-3-7-15)14-16-8-4-5-9-22(16)18/h1-9,14H,10-13H2

> <PUBCHEM_IUPAC_INCHIKEY>
YSSLWUQWTYMCLU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
334.13174244

> <PUBCHEM_MOLECULAR_FORMULA>
C20H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
334.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
51

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.13174244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
12  15  8
12  18  8
16  21  8
16  22  8
17  19  8
18  20  8
19  20  8
21  23  8
22  24  8
23  25  8
24  25  8
5  12  8
5  17  8
5  8  8
8  9  8
9  15  8

$$$$