53383165
  -OEChem-05092405202D

 61 66  0     1  0  0  0  0  0999 V2000
    4.6501    0.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    1.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -4.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080   -3.0734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2187    4.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8462   -1.5666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    1.4334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -1.0666    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    3.4334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3821    0.4334    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5161    1.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482   -0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161   -0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5161    2.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2482    2.9334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6222    1.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6222    3.4681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    3.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161    1.9126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -1.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -0.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7161    2.9542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501   -2.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802   -1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -3.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -2.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -1.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180   -1.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -4.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.1150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0277    3.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6969    3.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1969    4.6358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8462   -2.5666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8452    0.7434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6293    0.7788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7112   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142    1.0534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530   -1.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6293    4.0880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    1.6005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1142   -2.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5172    0.2434    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1804    3.2663    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870   -2.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841   -0.4466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811   -1.2566    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048   -5.1118    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030   -5.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3900   -4.0042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7864   -4.6971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1566    2.4202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3135    3.7050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8462   -3.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4662   -2.5666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 29  1  0  0  0  0
  3 33  1  0  0  0  0
  4 30  1  0  0  0  0
  4 34  1  0  0  0  0
  5 22  1  0  0  0  0
  5 37  1  0  0  0  0
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  6 38  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  1  0  0  0  0
  8 20  1  0  0  0  0
  8 43  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 39  1  0  0  0  0
 11 15  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  2  0  0  0  0
 12 19  1  0  0  0  0
 14 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 40  1  0  0  0  0
 18 24  1  0  0  0  0
 18 41  1  0  0  0  0
 19 25  2  0  0  0  0
 19 42  1  0  0  0  0
 20 27  2  0  0  0  0
 20 31  1  0  0  0  0
 21 26  1  0  0  0  0
 21 44  1  0  0  0  0
 22 35  2  0  0  0  0
 23 26  2  0  0  0  0
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 25 28  1  0  0  0  0
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 31 32  2  0  0  0  0
 31 50  1  0  0  0  0
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 33 52  1  0  0  0  0
 33 53  1  0  0  0  0
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 35 36  1  0  0  0  0
 35 56  1  0  0  0  0
 36 37  2  0  0  0  0
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 38 61  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53383165

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
890

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAA0YMECAAAAAACR1AAAHgAQAAAADCzhmAYyxoPABECoA61y1ASCCAAlIgAIiAGu/NgNZr7MtbuWOSrm9hnK6Ye42IOOIEAAAgAAQCBAgAAEAACAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-furyl)-2-oxo-quinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(furan-2-yl)-2-oxoquinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(furan-2-yl)-2-oxidanylidene-quinoxalin-1-yl]-2-(4-methoxyphenyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(2-furyl)-2-keto-quinoxalin-1-yl]-2-(4-methoxyphenyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H23N3O6/c1-35-20-11-8-18(9-12-20)27(28(33)30-19-10-13-23-25(17-19)38-16-15-37-23)32-22-6-3-2-5-21(22)31-26(29(32)34)24-7-4-14-36-24/h2-14,17,27H,15-16H2,1H3,(H,30,33)

> <PUBCHEM_IUPAC_INCHIKEY>
DHFYOKSFSFVCLE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
509.15868546

> <PUBCHEM_MOLECULAR_FORMULA>
C29H23N3O6

> <PUBCHEM_MOLECULAR_WEIGHT>
509.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCCO3)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=C(C=C1)C(C(=O)NC2=CC3=C(C=C2)OCCO3)N4C5=CC=CC=C5N=C(C4=O)C6=CC=CO6

> <PUBCHEM_CACTVS_TPSA>
103

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
509.15868546

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  13  3
11  15  8
11  17  8
12  18  8
12  19  8
14  16  8
15  21  8
17  23  8
18  24  8
19  25  8
20  27  8
20  31  8
21  26  8
22  35  8
23  26  8
24  28  8
25  28  8
27  29  8
29  30  8
30  32  8
31  32  8
35  36  8
36  37  8
5  22  8
5  37  8
7  11  8
7  14  8
9  15  8
9  16  8

$$$$