24881407
  -OEChem-05062409182D

 58 60  0     0  0  0  0  0  0999 V2000
    7.9295    0.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955   -5.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5275   -6.8926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    0.6074    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    5.1952    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5275   -5.8926    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    6.1462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974    6.1462    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295   -2.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955   -2.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9295   -1.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7955   -3.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -0.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6615   -4.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    0.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    1.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6615   -5.3926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    3.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974    4.6074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    4.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    2.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314    3.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634    3.1074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    5.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0064    5.1952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9021    6.5335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    5.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1590    7.2026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    5.9154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    6.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3189   -2.2849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7174   -2.9752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4061   -3.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0076   -2.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5401   -1.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1415   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1849   -3.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5834   -4.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4529   -0.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8514   -1.4752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2721   -4.5002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8736   -3.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6605    0.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9488    4.5045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7284    4.3388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7945    1.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    1.7974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7945    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004    3.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5961    5.0036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645   -5.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4918    6.7250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6142    4.6398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2879    7.8090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4103    5.7238    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7472    7.3084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0645   -7.2026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  2  0  0  0  0
  2 17  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 16  1  0  0  0  0
  4 44  1  0  0  0  0
  5  7  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 17  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  2  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 17  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 16 21  2  0  0  0  0
 16 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 18 24  1  0  0  0  0
 19 26  2  0  0  0  0
 20 25  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
 21 23  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  2  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  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>
24881407

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
547

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
11

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgAcCAAADAjBngQ8wJLYAACqAzV3VACCBAQhkgA42CE4dJgIYLLAkZGUIAhglADIyAcYiICOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

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

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHIKEY>
KNYJYVXHDVYGRE-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=C(C=C3)NC(=O)CCCCCCC(=O)NO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CN2C(=CN=N2)C3=CC=C(C=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  21  8
16  22  8
18  23  8
18  24  8
19  26  8
21  23  8
22  24  8
25  27  8
25  28  8
27  29  8
28  30  8
29  31  8
30  31  8
5  19  8
5  7  8
7  8  8
8  26  8

$$$$