67106851
  -OEChem-05122414442D

 57 60  0     0  0  0  0  0  0999 V2000
    5.2927   -1.6467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9211    0.9181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2962    0.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6857    2.3796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854   -0.5705    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9785   -2.9290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6319    2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2155    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6857    3.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6319    3.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2155    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8197    1.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8197    3.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9426    1.1243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9536    2.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9536    3.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7155    3.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7155    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2747    0.3800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6464   -2.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6249   -2.3910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9176   -1.3148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7155    3.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7155    2.0136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2712   -1.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2155    2.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9390   -1.1086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2282   -2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5819   -2.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2892   -3.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5604   -3.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8245    4.2736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8197    1.2596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8197    4.4996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    2.0696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167    3.6896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4055    4.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4055    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8776   -1.6095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200   -1.8571    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3936   -2.9662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1512   -2.7186    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1921   -0.6984    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0255    4.2825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0255    1.4766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8355    2.8796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7464   -0.5193    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8349   -2.3932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1678   -3.2649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1279   -2.1162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3933   -2.5950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8721   -3.3295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6998   -4.0722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4818   -4.4689    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8785   -3.6870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7530   -3.5990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 14  2  0  0  0  0
  3 19  2  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 19  1  0  0  0  0
  5 22  1  0  0  0  0
  5 44  1  0  0  0  0
  6 20  1  0  0  0  0
  6 30  1  0  0  0  0
  6 31  1  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 33  1  0  0  0  0
 11 17  2  0  0  0  0
 11 18  1  0  0  0  0
 12 15  2  0  0  0  0
 12 34  1  0  0  0  0
 13 16  2  0  0  0  0
 13 35  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 17 23  1  0  0  0  0
 17 38  1  0  0  0  0
 18 24  2  0  0  0  0
 18 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 27  2  0  0  0  0
 22 28  1  0  0  0  0
 23 26  2  0  0  0  0
 23 45  1  0  0  0  0
 24 26  1  0  0  0  0
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 25 27  1  0  0  0  0
 25 29  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
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 29 32  1  0  0  0  0
 29 50  1  0  0  0  0
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 30 53  1  0  0  0  0
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 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67106851

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgAQAAAADAzhngY+xrPMHACoA7V3VACCiCA3IiAI2CG+bNgOJvrE9buHOSjm1BnY6QeY2cOegAAAAgAAAAAAAAAEAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenyl-3-indolizinyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxo-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-oxidanylidene-2-(2-phenylindolizin-3-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-[2-(dimethylamino)ethoxy]phenyl]-2-keto-2-(2-phenylindolizin-3-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H25N3O3/c1-28(2)15-16-32-22-13-8-11-20(17-22)27-26(31)25(30)24-23(19-9-4-3-5-10-19)18-21-12-6-7-14-29(21)24/h3-14,17-18H,15-16H2,1-2H3,(H,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
ANXMXFKFZJURLH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
427.18959167

> <PUBCHEM_MOLECULAR_FORMULA>
C26H25N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
427.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CCOC1=CC=CC(=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CCOC1=CC=CC(=C1)NC(=O)C(=O)C2=C(C=C3N2C=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
63

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
427.18959167

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  17  8
11  18  8
12  15  8
13  16  8
15  16  8
17  23  8
18  24  8
22  27  8
22  28  8
23  26  8
24  26  8
25  27  8
25  29  8
28  32  8
29  32  8
4  12  8
4  7  8
4  9  8
7  8  8
8  10  8
9  10  8
9  13  8

$$$$