46942743
  -OEChem-05112422362D

 45 48  0     1  0  0  0  0  0999 V2000
    6.4103   -2.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -0.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4939   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939   -1.6340    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4939   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9939   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9939   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4939   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593   -0.2623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2756   -2.1863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -0.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1839   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839   -3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6839   -1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039   -3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3039   -1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4860    3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2460    3.3660    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1139   -2.5000    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 21  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 18  1  0  0  0  0
  5 34  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 15  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  1  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 26  1  0  0  0  0
 22 24  1  0  0  0  0
 22 38  1  0  0  0  0
 23 25  2  0  0  0  0
 23 39  1  0  0  0  0
 24 27  2  0  0  0  0
 24 40  1  0  0  0  0
 25 27  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46942743

> <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+POSjk1BHY6Ye43fKOgAACAAAAAAAAAAQAAAAAAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
HWWALCOSLSUKHJ-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)C2=C3CC(OC3=NC=C2)C(=O)NC4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=CC(=C1)C2=C3CC(OC3=NC=C2)C(=O)NC4=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  15  8
12  16  8
13  14  8
15  17  8
16  19  8
17  20  8
18  22  8
18  23  8
19  20  8
22  24  8
23  25  8
24  27  8
25  27  8
4  14  8
4  9  8
7  11  3
8  10  8
8  9  8

$$$$