46180760
  -OEChem-05072411512D

 58 60  0     0  0  0  0  0  0999 V2000
    2.0000   -5.0706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -6.0706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000   -5.0706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8457    3.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4006    3.7816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5761    5.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6646    1.8772    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -1.0706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5816    5.5042    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    0.4682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910   -0.4828    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8292    3.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4170    4.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8347    3.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4115    3.9907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2469    2.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9993    4.7997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2524    2.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9938    4.6952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6701    1.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    1.2773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0823    1.1727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    0.4682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2634    2.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6810    2.1908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8090   -0.4828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -2.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2688    2.9998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -2.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -2.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -4.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1340   -3.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8660   -3.5706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000   -5.0706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6583    2.6902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3865    3.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5879    4.6912    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8598    4.3670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0056    3.9867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2774    3.6625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2406    3.3947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9688    3.7189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0760    1.9857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8042    2.3099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1702    5.3957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4421    5.0715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9168    1.3108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345    0.6063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6278    3.3969    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0644    2.2556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3987   -0.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0167    3.5662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3295    6.0706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -2.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -2.2606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5970   -3.8806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4030   -3.8806    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9406    5.9013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 34  1  0  0  0  0
  2 34  1  0  0  0  0
  3 34  1  0  0  0  0
  4 18  2  0  0  0  0
  5 19  2  0  0  0  0
  6  9  1  0  0  0  0
  6 58  1  0  0  0  0
  7 18  1  0  0  0  0
  7 20  1  0  0  0  0
  7 47  1  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 19  1  0  0  0  0
  9 53  1  0  0  0  0
 10 11  2  0  0  0  0
 10 23  1  0  0  0  0
 12 13  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
 17 19  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  2  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 21 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 26  2  0  0  0  0
 24 28  1  0  0  0  0
 24 49  1  0  0  0  0
 25 28  2  0  0  0  0
 25 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  2  0  0  0  0
 27 30  1  0  0  0  0
 28 52  1  0  0  0  0
 29 32  1  0  0  0  0
 29 54  1  0  0  0  0
 30 33  2  0  0  0  0
 30 55  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 32 56  1  0  0  0  0
 33 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
46180760

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
658

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
8

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sYAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAcCAAADAjBnhQ8wJLYAACqAzV3VACCBCQxkgA4mCE4dJgIYPLAkZGUIAhglADIyAcYiICOCAAAQAAAAAAQAACAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N'-hydroxy-N-[3-[1-[4-(trifluoromethyl)phenyl]-4-triazolyl]phenyl]octanediamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-hydroxy-<I>N</I>-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]octanediamide

> <PUBCHEM_IUPAC_NAME>
N'-hydroxy-N-[3-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]phenyl]octanediamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H24F3N5O3/c24-23(25,26)17-10-12-19(13-11-17)31-15-20(28-30-31)16-6-5-7-18(14-16)27-21(32)8-3-1-2-4-9-22(33)29-34/h5-7,10-15,34H,1-4,8-9H2,(H,27,32)(H,29,33)

> <PUBCHEM_IUPAC_INCHIKEY>
KQEPMGXFJLJMIS-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.6

> <PUBCHEM_EXACT_MASS>
475.18312413

> <PUBCHEM_MOLECULAR_FORMULA>
C23H24F3N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
475.5

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

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

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
475.18312413

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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  11  8
10  23  8
20  22  8
20  24  8
21  22  8
21  25  8
23  26  8
24  28  8
25  28  8
27  29  8
27  30  8
29  32  8
30  33  8
31  32  8
31  33  8
8  11  8
8  26  8

$$$$