46180761
  -OEChem-04242416132D

 55 57  0     0  0  0  0  0  0999 V2000
   11.7268    6.0158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9243    8.0520    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.4320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0680    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.9320    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    4.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    3.6558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    4.6069    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712    3.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500    5.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7432    6.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1445    5.3114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7323    6.1204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310    7.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3255    7.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.3494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.0396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.8243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.3243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.8494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.5396    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -6.0146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -5.3243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.3780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.8780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    3.4642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -7.2420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1266    6.3942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3967    4.7450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6900    7.5355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.0520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  3 17  2  0  0  0  0
  4 18  2  0  0  0  0
  5  7  1  0  0  0  0
  5 55  1  0  0  0  0
  6 17  1  0  0  0  0
  6 19  1  0  0  0  0
  6 45  1  0  0  0  0
  7 18  1  0  0  0  0
  7 51  1  0  0  0  0
  8 10  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 15  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  1  0  0  0  0
 15 41  1  0  0  0  0
 15 42  1  0  0  0  0
 16 18  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  2  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 47  1  0  0  0  0
 23 26  2  0  0  0  0
 24 25  2  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 28 31  1  0  0  0  0
 28 52  1  0  0  0  0
 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 32  1  0  0  0  0
 31 32  2  0  0  0  0
 32 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46180761

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
604

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAcCAAADAjBngw8wJLYAACqAzV3VACCBCQxkgA4mCE4dJgIYPLAkZGUIAhglADIyAcYiICOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[3-[1-(3,5-difluorophenyl)triazol-4-yl]phenyl]-8-(hydroxyamino)-8-oxo-octanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[3-[1-(3,5-difluorophenyl)-4-triazolyl]phenyl]-N'-hydroxyoctanediamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[3-[1-(3,5-difluorophenyl)triazol-4-yl]phenyl]-<I>N</I>&apos;-hydroxyoctanediamide

> <PUBCHEM_IUPAC_NAME>
N-[3-[1-(3,5-difluorophenyl)triazol-4-yl]phenyl]-N'-hydroxyoctanediamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[3-[1-[3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-4-yl]phenyl]-N'-oxidanyl-octanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-[1-(3,5-difluorophenyl)triazol-4-yl]phenyl]-8-(hydroxyamino)-8-keto-caprylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H23F2N5O3/c23-16-11-17(24)13-19(12-16)29-14-20(26-28-29)15-6-5-7-18(10-15)25-21(30)8-3-1-2-4-9-22(31)27-32/h5-7,10-14,32H,1-4,8-9H2,(H,25,30)(H,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
NURIFHRHUHZHLY-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
443.17689594

> <PUBCHEM_MOLECULAR_FORMULA>
C22H23F2N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
443.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC(=C1)NC(=O)CCCCCCC(=O)NO)C2=CN(N=N2)C3=CC(=CC(=C3)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC(=C1)NC(=O)CCCCCCC(=O)NO)C2=CN(N=N2)C3=CC(=CC(=C3)F)F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
443.17689594

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
19  21  8
19  22  8
20  21  8
20  24  8
22  25  8
23  26  8
24  25  8
27  28  8
27  29  8
28  31  8
29  30  8
30  32  8
31  32  8
8  10  8
8  26  8
9  10  8
9  23  8

$$$$