443391
  -OEChem-05092411202D

 50 53  0     0  0  0  0  0  0999 V2000
    2.3660    3.1983    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8323    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    1.4663    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531    0.8327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9421   -2.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    2.5276    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    1.3708    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530   -1.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2098   -3.7942    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    4.1370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    3.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210    1.5770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0102    0.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9887    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423   -0.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2993   -0.7364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315   -1.4807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9206   -2.6375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2313   -3.5880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5885   -1.8932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5635   -4.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5670   -2.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8777   -3.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9477    4.4462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1593    4.7039    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    2.9176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4548    3.7470    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    4.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1760    4.8692    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    4.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5560    3.7954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1136    1.8323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4027    0.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7356   -0.1961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9060   -0.8643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3959   -1.3038    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1020   -3.9182    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1494   -4.7938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0249   -4.7464    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9811   -1.6379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4843   -3.1778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2 20  1  0  0  0  0
  3 20  1  0  0  0  0
  4 18  2  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 18  1  0  0  0  0
  7 18  1  0  0  0  0
  7 21  1  0  0  0  0
  7 41  1  0  0  0  0
  8 23  1  0  0  0  0
  8 25  2  0  0  0  0
  9 27  1  0  0  0  0
  9 31  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 14 36  1  0  0  0  0
 15 17  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 24  2  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 27 29  1  0  0  0  0
 28 30  2  0  0  0  0
 28 45  1  0  0  0  0
 29 46  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
443391

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
634

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sYAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB8AAAHwAQAAAADAzBnhQ/xpPIFACoAzRnVASCiCAxciAI2CA/fJiOZuLEsZufOCjs1hPY6CewkMAOyAACQAASAACQAASAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]-6-(trifluoromethyl)indoline-1-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
5-methyl-N-[6-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-methyl-<I>N</I>-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_NAME>
5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-methyl-N-[6-(2-methylpyridin-3-yl)oxypyridin-3-yl]-6-(trifluoromethyl)-2,3-dihydroindole-1-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
5-methyl-N-[6-[(2-methyl-3-pyridyl)oxy]-3-pyridyl]-6-(trifluoromethyl)indoline-1-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)

> <PUBCHEM_IUPAC_INCHIKEY>
ZETBBVYSBABLHL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
428.14601035

> <PUBCHEM_MOLECULAR_FORMULA>
C22H19F3N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
428.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=CC2=C(C=C1C(F)(F)F)N(CC2)C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C

> <PUBCHEM_CACTVS_TPSA>
67.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
428.14601035

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  13  8
11  14  8
13  15  8
14  16  8
15  17  8
16  17  8
21  22  8
21  23  8
22  24  8
24  25  8
26  27  8
26  28  8
28  30  8
30  31  8
8  23  8
8  25  8
9  27  8
9  31  8

$$$$