2883119
  -OEChem-05092409272D

 49 52  0     1  0  0  0  0  0999 V2000
    2.0000    1.1706    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.0486    4.6374    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654   -3.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -4.1374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3884    0.4503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6974    1.4014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -0.1375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0064    0.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6974    1.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -1.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4374    0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2852    2.2104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -1.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -1.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3314   -2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6942    0.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294   -0.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -2.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1974   -3.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8785    3.1239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2797    2.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431    0.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2784   -1.1458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662    3.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8675    2.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352   -0.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608    3.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654   -4.1374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0634   -4.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7498   -0.4189    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3164   -0.0866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5728    0.7025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7945   -1.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004   -1.3274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8231    1.4169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6902   -1.2517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004   -2.9474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    3.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5319    1.5395    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1495   -1.7523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141    4.4994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4841    2.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9456   -0.6683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8454   -4.1374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4654   -4.7575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0854   -4.1374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7534   -5.1744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6004   -4.9474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3734   -4.1005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  2 27  1  0  0  0  0
  3 15  1  0  0  0  0
  3 28  1  0  0  0  0
  4 19  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  1  0  0  0  0
  6  9  2  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 12  1  0  0  0  0
 10 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 20  2  0  0  0  0
 12 21  1  0  0  0  0
 13 15  1  0  0  0  0
 13 33  1  0  0  0  0
 14 18  2  0  0  0  0
 14 34  1  0  0  0  0
 15 19  2  0  0  0  0
 16 22  1  0  0  0  0
 16 35  1  0  0  0  0
 17 23  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 20 24  1  0  0  0  0
 20 38  1  0  0  0  0
 21 25  2  0  0  0  0
 21 39  1  0  0  0  0
 22 26  2  0  0  0  0
 23 26  1  0  0  0  0
 23 40  1  0  0  0  0
 24 27  2  0  0  0  0
 24 41  1  0  0  0  0
 25 27  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 28 44  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2883119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
567

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAQAAAAAwYMAAAAAAAAABUAAAHwAIAAAADCzBmA4yxoIABACgAyRiQACSDAAhIgAYiAA+7JgNJqLEsZuEMCpkyBHK6Aew0PMOIAABAAAAQABAAAIAAACAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_CAS_NAME>
3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_NAME>
3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-(3,4-dimethoxyphenyl)-1-(3-fluorophenyl)-3-(4-fluorophenyl)-2-pyrazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20F2N2O2/c1-28-22-11-8-16(12-23(22)29-2)21-14-20(15-6-9-17(24)10-7-15)26-27(21)19-5-3-4-18(25)13-19/h3-13,21H,14H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
JMFXEZJLWLEQDC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.2

> <PUBCHEM_EXACT_MASS>
394.14928421

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20F2N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
394.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=C(C=C(C=C1)C2CC(=NN2C3=CC(=CC=C3)F)C4=CC=C(C=C4)F)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=C(C=C(C=C1)C2CC(=NN2C3=CC(=CC=C3)F)C4=CC=C(C=C4)F)OC

> <PUBCHEM_CACTVS_TPSA>
34.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
394.14928421

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  13  8
10  14  8
11  16  8
11  17  8
12  20  8
12  21  8
13  15  8
14  18  8
15  19  8
16  22  8
17  23  8
18  19  8
20  24  8
21  25  8
22  26  8
23  26  8
24  27  8
25  27  8
7  10  3

$$$$