24881332
  -OEChem-05092402452D

 58 60  0     0  0  0  0  0  0999 V2000
    2.0000    7.3826    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    0.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   -6.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628   -7.0726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    0.4274    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9236    5.0151    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628   -6.0726    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2326    5.9662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2326    5.9662    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   -2.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   -3.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647   -1.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   -4.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987   -1.0727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968   -4.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    1.4273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1968   -5.5726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    3.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    4.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9726    4.7061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    1.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666    1.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    2.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666    2.9274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    5.3752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5417    5.0151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784    5.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    6.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    5.7354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    7.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    6.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8541   -2.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2526   -3.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9413   -3.1803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5428   -2.4900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0753   -1.6803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6768   -0.9900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7202   -3.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1187   -4.6552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9881   -0.9650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3866   -1.6552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8073   -4.6803    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4088   -3.9900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1957    0.1174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4840    4.3244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2636    4.1587    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1356    1.6174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3297    1.6174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1356    3.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3297    3.2374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1313    4.8236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5997   -5.7626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495    4.4598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0270    6.5450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456    5.5438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231    7.6290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5997   -7.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 32  1  0  0  0  0
  2 16  2  0  0  0  0
  3 18  2  0  0  0  0
  4  7  1  0  0  0  0
  4 58  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 45  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 18  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  2  0  0  0  0
  9 27  1  0  0  0  0
 10 11  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
 15 18  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 19 25  1  0  0  0  0
 20 27  2  0  0  0  0
 21 26  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  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 50  1  0  0  0  0
 25 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 29  1  0  0  0  0
 27 52  1  0  0  0  0
 28 30  1  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 32  2  0  0  0  0
 30 56  1  0  0  0  0
 31 32  1  0  0  0  0
 31 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24881332

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
580

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sQAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHwAcCAAADAjBngw8wJLYAACqAzV3VACCBAQhkgA42CE4dJgIYLLAkZGUIAhglADIyAcYiICOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
N-[4-[3-[(4-fluorophenyl)methyl]-4-triazolyl]phenyl]-N'-hydroxyoctanediamide

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

> <PUBCHEM_IUPAC_NAME>
N-[4-[3-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]-N'-hydroxyoctanediamide

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H26FN5O3/c24-19-11-7-17(8-12-19)16-29-21(15-25-28-29)18-9-13-20(14-10-18)26-22(30)5-3-1-2-4-6-23(31)27-32/h7-15,32H,1-6,16H2,(H,26,30)(H,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
ZKGHRYATLBNIFZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.7

> <PUBCHEM_EXACT_MASS>
439.20196787

> <PUBCHEM_MOLECULAR_FORMULA>
C23H26FN5O3

> <PUBCHEM_MOLECULAR_WEIGHT>
439.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC(=CC=C1CN2C(=CN=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC(=CC=C1CN2C(=CN=N2)C3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO)F

> <PUBCHEM_CACTVS_TPSA>
109

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
439.20196787

> <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>
17  22  8
17  23  8
19  24  8
19  25  8
20  27  8
22  24  8
23  25  8
26  28  8
26  29  8
28  30  8
29  31  8
30  32  8
31  32  8
6  20  8
6  8  8
8  9  8
9  27  8

$$$$