24881464
  -OEChem-05072406172D

 55 57  0     0  0  0  0  0  0999 V2000
    7.3942    1.1356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   -5.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9923   -6.3644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    1.1356    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8532    5.7234    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9923   -5.3644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622    6.6744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1622    6.6744    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3942   -1.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   -2.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3942   -0.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2603   -3.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282   -0.3644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263   -3.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    0.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1263   -4.8644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    2.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    4.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6622    5.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962    2.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    2.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7962    3.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5282    3.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    5.4144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4712    5.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    6.0835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    4.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    5.7745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    4.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7837   -1.7568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1822   -2.4470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8708   -2.4721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4723   -1.7818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0048   -0.9721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6063   -0.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6497   -3.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0482   -3.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9176   -0.2568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3162   -0.9470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7369   -3.9721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3383   -3.2818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252    0.8256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592    2.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    2.3256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2592    3.9456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0652    3.9456    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -5.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0609    5.5318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879    6.6899    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1550    4.0213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    6.1893    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142    3.5207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    4.6047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5292   -6.6744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 16  2  0  0  0  0
  3  6  1  0  0  0  0
  3 55  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 43  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 24  1  0  0  0  0
  6 16  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 16  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 17 20  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 25  2  0  0  0  0
 20 22  1  0  0  0  0
 20 44  1  0  0  0  0
 21 23  2  0  0  0  0
 21 45  1  0  0  0  0
 22 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 26  2  0  0  0  0
 24 27  1  0  0  0  0
 25 49  1  0  0  0  0
 26 28  1  0  0  0  0
 26 50  1  0  0  0  0
 27 29  2  0  0  0  0
 27 51  1  0  0  0  0
 28 30  2  0  0  0  0
 28 52  1  0  0  0  0
 29 30  1  0  0  0  0
 29 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24881464

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
533

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
10

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAcCAAADAjBngQ8wJLYAACqAzV3VACCBCQhkgA4mCEwdJgIYPLAkZGUIAhglADIyAcYiICOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H25N5O3/c28-21(10-6-1-2-7-11-22(29)25-30)24-18-14-12-17(13-15-18)20-16-23-26-27(20)19-8-4-3-5-9-19/h3-5,8-9,12-16,30H,1-2,6-7,10-11H2,(H,24,28)(H,25,29)

> <PUBCHEM_IUPAC_INCHIKEY>
OSBJPHXXKNVNGT-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
407.19573968

> <PUBCHEM_MOLECULAR_FORMULA>
C22H25N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
407.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)N2C(=CN=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)N2C(=CN=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
407.19573968

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
17  20  8
17  21  8
18  22  8
18  23  8
19  25  8
20  22  8
21  23  8
24  26  8
24  27  8
26  28  8
27  29  8
28  30  8
29  30  8
5  19  8
5  7  8
7  8  8
8  25  8

$$$$