24881330
  -OEChem-04252404202D

 58 60  0     0  0  0  0  0  0999 V2000
    7.1962   -1.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -7.4842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    4.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.9842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    3.6035    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    4.5546    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.9842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1500    5.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712    3.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7432    6.2772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3310    7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7487    6.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9243    7.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3420    7.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298    8.1042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -2.4016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -3.0919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -4.5669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -3.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -3.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -2.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -3.9016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -4.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520   -0.9016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -1.5919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -6.0669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -5.3766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    0.3258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    1.8258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5806    4.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6640    5.7103    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.6042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    3.4120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.8258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    0.2058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -7.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9476    7.0214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3843    5.8801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2887    8.5013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7254    7.3600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6776    8.6706    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -8.1042    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 58  1  0  0  0  0
  4 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 44  1  0  0  0  0
  5  8  1  0  0  0  0
  5 21  1  0  0  0  0
  5 23  1  0  0  0  0
  6 16  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 12  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 16  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 17 19  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 24  1  0  0  0  0
 19 45  1  0  0  0  0
 20 23  2  0  0  0  0
 21 25  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 26  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 28  1  0  0  0  0
 26 51  1  0  0  0  0
 27 29  1  0  0  0  0
 27 53  1  0  0  0  0
 28 30  2  0  0  0  0
 28 54  1  0  0  0  0
 29 31  2  0  0  0  0
 29 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24881330

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
555

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAcCAAADAjBngQ8wJLYAACqAzV3VACCBAQxkgA42CE4dJgIYLLAkZGUIAhglADIyAcYiICOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

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

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

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

> <PUBCHEM_IUPAC_NAME>
N-[3-(1-benzyltriazol-4-yl)phenyl]-N'-hydroxyoctanediamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H27N5O3/c29-22(13-6-1-2-7-14-23(30)26-31)24-20-12-8-11-19(15-20)21-17-28(27-25-21)16-18-9-4-3-5-10-18/h3-5,8-12,15,17,31H,1-2,6-7,13-14,16H2,(H,24,29)(H,26,30)

> <PUBCHEM_IUPAC_INCHIKEY>
QWAGLXWBHCFGBD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
421.21138974

> <PUBCHEM_MOLECULAR_FORMULA>
C23H27N5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
421.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CN2C=C(N=N2)C3=CC(=CC=C3)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CN2C=C(N=N2)C3=CC(=CC=C3)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
421.21138974

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
31

> <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  19  8
17  22  8
18  19  8
18  24  8
20  23  8
22  26  8
24  26  8
25  27  8
25  28  8
27  29  8
28  30  8
29  31  8
30  31  8
5  23  8
5  8  8
7  20  8
7  8  8

$$$$