16097583
  -OEChem-04252403242D

 41 43  0     0  0  0  0  0  0999 V2000
    5.9674    0.9584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426    0.6265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6067   -2.9693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.4199    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6318   -0.5302    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.0538    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    2.1151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619    2.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    3.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    2.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889    1.1646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3211    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    3.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.0538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9639   -1.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2746   -2.2250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    3.7859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    2.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9174   -3.9199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8709    4.3139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2999    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.5399    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.7299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    4.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    1.5169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5814   -0.7866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4170   -1.5665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2384   -0.6581    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6571   -2.7129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215   -1.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    4.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    2.9199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3281   -4.1125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100   -4.5092    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5067   -3.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 17  2  0  0  0  0
  3 21  1  0  0  0  0
  3 24  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 20  1  0  0  0  0
  5 34  1  0  0  0  0
  6 19  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 25  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  2  0  0  0  0
 12 15  2  0  0  0  0
 12 26  1  0  0  0  0
 13 16  2  0  0  0  0
 13 27  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 18 22  2  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 21  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
 22 23  1  0  0  0  0
 22 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16097583

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
457

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAAsWAAAAAAAAFgB+AAAHgAQAAAADAzhngY+wLPMHACoA7V3VACCgCA3AiAI2KG4ZNgKIPrA1bGFIQhglgDYyQcYicCegAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2-methoxyethyl)-2-oxo-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2-methoxyethyl)-2-oxo-2-[2-(3-pyridinyl)-3-indolizinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2-methoxyethyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2-methoxyethyl)-2-oxo-2-(2-pyridin-3-ylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2-methoxyethyl)-2-oxidanylidene-2-(2-pyridin-3-ylindolizin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-keto-N-(2-methoxyethyl)-2-[2-(3-pyridyl)indolizin-3-yl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H17N3O3/c1-24-10-8-20-18(23)17(22)16-15(13-5-4-7-19-12-13)11-14-6-2-3-9-21(14)16/h2-7,9,11-12H,8,10H2,1H3,(H,20,23)

> <PUBCHEM_IUPAC_INCHIKEY>
JBQWRIGVYCSQLD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.4

> <PUBCHEM_EXACT_MASS>
323.12699141

> <PUBCHEM_MOLECULAR_FORMULA>
C18H17N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
323.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
COCCNC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CN=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COCCNC(=O)C(=O)C1=C(C=C2N1C=CC=C2)C3=CN=CC=C3

> <PUBCHEM_CACTVS_TPSA>
72.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.12699141

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  18  8
11  19  8
12  15  8
13  16  8
15  16  8
18  22  8
22  23  8
4  12  8
4  7  8
4  9  8
6  19  8
6  23  8
7  8  8
8  10  8
9  10  8
9  13  8

$$$$