49790865
  -OEChem-04262417122D

 45 48  0     1  0  0  0  0  0999 V2000
    4.6783   -1.0727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    0.5981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -3.7320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -1.1340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783    0.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -0.2679    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7320    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.7320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -0.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156    0.8460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272    1.1037    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -0.8203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -1.6709    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -1.0780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.9220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -2.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519    0.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.5420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719    0.2690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -1.1340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -3.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   -2.8660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -2.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  9  1  0  0  0  0
  2 11  2  0  0  0  0
  3 26  2  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 11  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 12 16  2  0  0  0  0
 12 17  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 33  1  0  0  0  0
 15 18  1  0  0  0  0
 15 19  2  0  0  0  0
 16 20  1  0  0  0  0
 16 34  1  0  0  0  0
 17 21  2  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 18 36  1  0  0  0  0
 19 24  1  0  0  0  0
 19 37  1  0  0  0  0
 20 23  2  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 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49790865

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
546

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgAQAAAADBzhmgY+xJLIFACoArV3VAKCiCA1IiAI2CF8bNgOJnLEtZ+POSjk1BHY6Ye83fKOgAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H18N2O3/c1-14(25)16-8-5-9-17(12-16)24-21(26)20-13-19-18(10-11-23-22(19)27-20)15-6-3-2-4-7-15/h2-12,20H,13H2,1H3,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
HUNODKXGGXDFGY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
358.13174244

> <PUBCHEM_MOLECULAR_FORMULA>
C22H18N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
358.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=C(C=CN=C3O2)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC(=CC=C1)NC(=O)C2CC3=C(C=CN=C3O2)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
68.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
358.13174244

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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  8
12  16  8
12  17  8
13  14  8
15  18  8
15  19  8
16  20  8
17  21  8
18  22  8
19  24  8
20  23  8
21  23  8
22  25  8
24  25  8
4  14  8
4  9  8
7  11  3
8  10  8
8  9  8

$$$$