2865685
  -OEChem-05062405302D

 45 48  0     1  0  0  0  0  0999 V2000
    2.9380   -1.5352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -0.5352    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8611    0.0526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    0.0526    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1701    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1701    1.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.2564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -1.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5823    1.8126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6381   -1.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1733    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9890    2.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    1.7081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5891   -1.5436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    0.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8041   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3323   -0.8745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5361   -3.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4013    3.5352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.5171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067    3.4307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720   -2.0352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5761   -0.5598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7765    1.1325    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053    1.6202    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1773   -1.6494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0444    1.0191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -1.7252    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6056    2.7910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3356    1.1417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180   -2.1501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    0.5185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2671   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9219   -1.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0730   -3.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6701   -4.1552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6534    4.1016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834    2.4523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0423    3.9323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7620   -1.4983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5351   -2.3452    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820   -2.5722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  3  6  2  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 11 17  2  0  0  0  0
 11 30  1  0  0  0  0
 12 18  2  0  0  0  0
 13 20  1  0  0  0  0
 13 31  1  0  0  0  0
 14 22  1  0  0  0  0
 14 32  1  0  0  0  0
 15 23  2  0  0  0  0
 15 33  1  0  0  0  0
 16 19  2  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 21  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 24  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2865685

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
451

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAQAAAAAwYMAAAAAAAAABUAAAHgAIAAAADCzBmAYyxoIABACgAyRiQACSDAAhIgAYiAA/bJgOJqLEsZuFMChkyBHY6AeQwMAOAAAAAAAAEAAAAAAAAAAgAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(2-methoxyphenyl)-3,5-diphenyl-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_CAS_NAME>
2-(2-methoxyphenyl)-3,5-diphenyl-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(2-methoxyphenyl)-3,5-diphenyl-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_NAME>
2-(2-methoxyphenyl)-3,5-diphenyl-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-(2-methoxyphenyl)-3,5-diphenyl-3,4-dihydropyrazole

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(2-methoxyphenyl)-3,5-diphenyl-2-pyrazoline

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H20N2O/c1-25-22-15-9-8-14-20(22)24-21(18-12-6-3-7-13-18)16-19(23-24)17-10-4-2-5-11-17/h2-15,21H,16H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
HSWXJAVUGCOOMR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5

> <PUBCHEM_EXACT_MASS>
328.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C22H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
328.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC=CC=C1N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC=CC=C1N2C(CC(=N2)C3=CC=CC=C3)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
24.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
328.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <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  16  8
11  17  8
12  18  8
13  20  8
14  22  8
15  23  8
16  19  8
17  19  8
18  21  8
20  21  8
22  24  8
23  24  8
4  7  3
7  10  8
7  11  8
8  12  8
8  13  8
9  14  8
9  15  8

$$$$