24881402
  -OEChem-05102421112D

 58 60  0     0  0  0  0  0  0999 V2000
    7.1962   -0.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.2376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2624    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2532    4.8502    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5622    5.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.7376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5622    5.8012    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.2376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    3.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    4.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.7376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    2.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3021    4.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5590    5.2103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8712    4.8502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7669    6.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6079    4.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0237    6.8576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8648    5.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0727    6.5486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860   -1.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875   -1.8452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -3.3202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.6299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -1.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -1.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -2.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    0.3450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535   -0.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9441   -4.8202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3426   -4.1299    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7932    1.5724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8135    4.1595    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5932    3.9938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    3.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.6424    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    3.0724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4651    1.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4608    4.6586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -6.0476    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3565    6.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4790    4.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1526    7.4640    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2751    5.3788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6119    6.9634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.8576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 19  2  0  0  0  0
  3  7  1  0  0  0  0
  3 58  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  2  0  0  0  0
  7 19  1  0  0  0  0
  7 52  1  0  0  0  0
  8 26  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 19  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 17 23  1  0  0  0  0
 18 26  2  0  0  0  0
 20 47  1  0  0  0  0
 21 24  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 25  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 27  2  0  0  0  0
 24 28  1  0  0  0  0
 25 50  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>
24881402

> <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>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAcCAAADAjBngQ8wJLYAACqAzV3VACCBAQhkgA42CE4dJgIYLLAkZGUIAhglADIyAcYiICOAAAAQAAAAAAAAACAAAAAAAAAAAAAAA==

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

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

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

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

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

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[3-(3-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)25-20-12-8-11-19(15-20)21-16-24-27-28(21)17-18-9-4-3-5-10-18/h3-5,8-12,15-16,31H,1-2,6-7,13-14,17H2,(H,25,29)(H,26,30)

> <PUBCHEM_IUPAC_INCHIKEY>
UQIMEFHEVVKGJC-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(=CN=N2)C3=CC(=CC=C3)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CN2C(=CN=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>
16  20  8
16  22  8
17  20  8
17  23  8
18  26  8
22  25  8
23  25  8
24  27  8
24  28  8
27  29  8
28  30  8
29  31  8
30  31  8
5  18  8
5  6  8
6  8  8
8  26  8

$$$$