49790993
  -OEChem-05132415352D

 45 48  0     1  0  0  0  0  0999 V2000
    2.8660    3.3660    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.7679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.6340    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.6340    0.0000 C   0  0  3  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
    2.8660   -0.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.1340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8660    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
    8.2619   -1.6340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8660    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
    8.2619   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.6340    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
    9.2619   -3.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.7679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2156   -0.5200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4272   -0.2623    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5436   -2.1863    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519   -3.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.4440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -1.0970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -3.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -1.3880    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819   -0.7679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.1479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  1  0  0  0  0
  2  8  1  0  0  0  0
  2 10  1  0  0  0  0
  3 12  2  0  0  0  0
  4 27  2  0  0  0  0
  5 10  2  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 14 15  2  0  0  0  0
 14 32  1  0  0  0  0
 15 34  1  0  0  0  0
 16 19  1  0  0  0  0
 16 22  2  0  0  0  0
 17 20  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  2  0  0  0  0
 18 36  1  0  0  0  0
 19 23  2  0  0  0  0
 19 37  1  0  0  0  0
 20 24  2  0  0  0  0
 20 39  1  0  0  0  0
 21 24  1  0  0  0  0
 21 40  1  0  0  0  0
 22 25  1  0  0  0  0
 22 38  1  0  0  0  0
 23 26  1  0  0  0  0
 23 27  1  0  0  0  0
 25 26  2  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 28 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
49790993

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
578

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAASAAAAA8YIAAAAAAAFgB0AAAHgIQAAAADB7hmiY+xJLIFACoArV3VAKCiCA1JyAI2CF8btgOJnLFt5+POSjk1BHY6Ye83fKOhAAAQAAAAAAIAACAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H17ClN2O3/c1-13(26)15-3-2-4-17(11-15)25-21(27)20-12-19-18(9-10-24-22(19)28-20)14-5-7-16(23)8-6-14/h2-11,20H,12H2,1H3,(H,25,27)

> <PUBCHEM_IUPAC_INCHIKEY>
YZBKWRJHLKAHTC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
392.0927701

> <PUBCHEM_MOLECULAR_FORMULA>
C22H17ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
392.8

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

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

> <PUBCHEM_CACTVS_TPSA>
68.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
392.0927701

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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>
11  14  8
13  17  8
13  18  8
14  15  8
16  19  8
16  22  8
17  20  8
18  21  8
19  23  8
20  24  8
21  24  8
22  25  8
23  26  8
25  26  8
5  10  8
5  15  8
8  12  3
9  10  8
9  11  8

$$$$