2469908
  -OEChem-05102411412D

 43 45  0     0  0  0  0  0  0999 V2000
    2.0000   -2.5352    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.5352    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.4648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641    3.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.0036    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731    2.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551    2.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    3.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2242    1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7040    1.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5464    3.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1452    4.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1342    4.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    5.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7275    5.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0326    1.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8138    1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4158    2.3332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010    0.1548    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5124    2.3332    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1144    1.5520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956    1.1539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7986    3.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5286    4.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.9275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7508    4.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4808    6.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0919    5.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -2.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -4.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -4.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 16  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  2  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  1  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  2  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2469908

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
476

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAGAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAAB0AAAHgIYAAAACA6hliIyxpLIBACqASVyVAKSDCAhN0AYmCB2f5gOZmPF89+XvCjk3BHY6AeQQAAAACAAAACACAAAQAAAAQAQAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2,4-dichlorophenoxy)-<I>N</I>-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[2,4-bis(chloranyl)phenoxy]-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17Cl2N3O2/c1-12-19(13(2)24(23-12)15-6-4-3-5-7-15)22-18(25)11-26-17-9-8-14(20)10-16(17)21/h3-10H,11H2,1-2H3,(H,22,25)

> <PUBCHEM_IUPAC_INCHIKEY>
VBJACVDLBAZNSW-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
389.0697822

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17Cl2N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
390.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=C(C=C(C=C3)Cl)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)COC3=C(C=C(C=C3)Cl)Cl

> <PUBCHEM_CACTVS_TPSA>
56.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
389.0697822

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <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>
11  14  8
11  15  8
14  18  8
15  19  8
18  20  8
19  20  8
21  22  8
21  23  8
22  24  8
23  25  8
24  26  8
25  26  8
5  6  8
5  8  8
6  10  8
8  9  8
9  10  8

$$$$