49795392
  -OEChem-04262411092D

 52 55  0     1  0  0  0  0  0999 V2000
    6.4103   -2.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -3.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -2.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4939   -2.0670    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.2010    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -2.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -1.2010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9939   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9939   -2.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.0870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593    0.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756   -1.7533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.3910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.0110    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839   -2.6039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.9890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.6090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839   -0.6640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839   -3.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039   -0.6640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039   -3.4700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.4190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.7990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8039   -1.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9939   -3.5530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6139   -2.9330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9939   -2.3130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2 13  2  0  0  0  0
  3 25  2  0  0  0  0
  4 30  2  0  0  0  0
  5 11  2  0  0  0  0
  5 16  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  6 37  1  0  0  0  0
  7 26  1  0  0  0  0
  7 30  1  0  0  0  0
  7 49  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 13  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 20  1  0  0  0  0
 17 38  1  0  0  0  0
 18 21  2  0  0  0  0
 18 39  1  0  0  0  0
 19 23  2  0  0  0  0
 19 24  1  0  0  0  0
 20 22  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 27  1  0  0  0  0
 23 42  1  0  0  0  0
 24 28  2  0  0  0  0
 24 43  1  0  0  0  0
 25 29  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49795392

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
676

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgAQAAAADBzhmgY+xJLIFACoArV3VAKCiCA1IiAI2CF8bNgOJnLEtZ+POSjk1BHY6Ye43fKOgACCAAAAAAAAAQQAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(4-acetamidophenyl)-4-(3-acetylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(4-acetamidophenyl)-4-(3-acetylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(4-acetamidophenyl)-4-(3-acetylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(4-acetamidophenyl)-4-(3-acetylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(4-acetamidophenyl)-4-(3-ethanoylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-acetamidophenyl)-4-(3-acetylphenyl)-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21N3O4/c1-14(28)16-4-3-5-17(12-16)20-10-11-25-24-21(20)13-22(31-24)23(30)27-19-8-6-18(7-9-19)26-15(2)29/h3-12,22H,13H2,1-2H3,(H,26,29)(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
YJZVKNKGEGJXMB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
415.15320616

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
415.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC=CC(=C1)C2=C3CC(OC3=NC=C2)C(=O)NC4=CC=C(C=C4)NC(=O)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=CC(=C1)C2=C3CC(OC3=NC=C2)C(=O)NC4=CC=C(C=C4)NC(=O)C

> <PUBCHEM_CACTVS_TPSA>
97.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
415.15320616

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  11  8
10  12  8
12  15  8
14  17  8
14  18  8
15  16  8
17  20  8
18  21  8
19  23  8
19  24  8
20  22  8
21  22  8
23  27  8
24  28  8
26  27  8
26  28  8
5  11  8
5  16  8
9  13  3

$$$$