58709127
  -OEChem-05032423272D

 45 48  0     0  0  0  0  0  0999 V2000
    8.0622   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9272    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7331    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8554    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583    2.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613    1.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6613   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  2  0  0  0  0
  3 15  2  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5 17  1  0  0  0  0
  5 29  2  0  0  0  0
  6  8  2  0  0  0  0
  6 10  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8 30  1  0  0  0  0
  9 15  1  0  0  0  0
  9 18  1  0  0  0  0
 10 16  2  0  0  0  0
 10 31  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  2  0  0  0  0
 11 22  1  0  0  0  0
 12 16  1  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 14 19  2  0  0  0  0
 16 33  1  0  0  0  0
 17 23  2  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 21 24  1  0  0  0  0
 21 37  1  0  0  0  0
 22 25  2  0  0  0  0
 22 38  1  0  0  0  0
 23 27  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 26  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 28  2  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 28 44  1  0  0  0  0
 29 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
58709127

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
560

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB9AAAHgAAAAAADAzBngQ8hpIIFACoA7R3RACCiCA3IiAI2CG+bNgMJvLEtbuOOSjkwBHI6Yea2POOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
phenyl-[6-[3-(pyridine-2-carbonyl)phenoxy]-2-pyridyl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
[6-[3-[oxo(2-pyridinyl)methyl]phenoxy]-2-pyridinyl]-phenylmethanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
phenyl-[6-[3-(pyridine-2-carbonyl)phenoxy]pyridin-2-yl]methanone

> <PUBCHEM_IUPAC_NAME>
phenyl-[6-[3-(pyridine-2-carbonyl)phenoxy]pyridin-2-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
phenyl-[6-(3-pyridin-2-ylcarbonylphenoxy)pyridin-2-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
phenyl-[6-(3-picolinoylphenoxy)-2-pyridyl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H16N2O3/c27-23(17-8-2-1-3-9-17)21-13-7-14-22(26-21)29-19-11-6-10-18(16-19)24(28)20-12-4-5-15-25-20/h1-16H

> <PUBCHEM_IUPAC_INCHIKEY>
LYROGNDOKHHMCR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
380.11609238

> <PUBCHEM_MOLECULAR_FORMULA>
C24H16N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
380.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)C(=O)C2=NC(=CC=C2)OC3=CC=CC(=C3)C(=O)C4=CC=CC=N4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)C(=O)C2=NC(=CC=C2)OC3=CC=CC(=C3)C(=O)C4=CC=CC=N4

> <PUBCHEM_CACTVS_TPSA>
69.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
380.11609238

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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  16  8
11  21  8
11  22  8
12  16  8
14  19  8
17  23  8
18  20  8
19  20  8
21  24  8
22  25  8
23  27  8
24  26  8
25  26  8
27  28  8
28  29  8
4  14  8
4  9  8
5  17  8
5  29  8
6  10  8
6  8  8
7  12  8
7  8  8
9  18  8

$$$$