9890863
  -OEChem-05122402092D

 55 57  0     1  0  0  0  0  0999 V2000
    6.2047    3.8805    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5981    3.8184    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2320    2.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641    3.4524    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1030    2.8427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9939    1.0864    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    0.2816    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3638   -2.3637    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.9137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4103    1.8911    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4641    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9939    1.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7210   -0.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2204    2.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0531   -1.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1176    3.4722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1332    2.0692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6960   -3.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3423   -2.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9276    4.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9432    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0066   -4.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6530   -3.5205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8404    3.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1035   -1.1568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2679   -0.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6706   -0.9253    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5062   -1.7052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5337    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    1.8964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5186    3.3027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1969    1.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -2.6201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1490   -3.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9561   -2.4826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3629   -1.9503    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8638    4.6753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5092    2.4024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4173   -4.2512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1992   -4.6479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5959   -3.8659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0636   -3.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8456   -4.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2423   -3.3279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3426    4.0138    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.2236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 22  1  0  0  0  0
  3 22  1  0  0  0  0
  4 22  1  0  0  0  0
  5 11  1  0  0  0  0
  5 39  1  0  0  0  0
  6 14  2  0  0  0  0
  7 27  2  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 18  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 54  1  0  0  0  0
 10 55  1  0  0  0  0
 11 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  2  0  0  0  0
 13 19  2  0  0  0  0
 15 18  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 20  1  0  0  0  0
 16 22  1  0  0  0  0
 17 23  1  0  0  0  0
 17 24  2  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  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 27  1  0  0  0  0
 23 28  2  0  0  0  0
 24 29  1  0  0  0  0
 24 40  1  0  0  0  0
 25 30  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 31  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 28 32  1  0  0  0  0
 28 45  1  0  0  0  0
 29 32  2  0  0  0  0
 29 46  1  0  0  0  0
 30 47  1  0  0  0  0
 30 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
 32 53  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9890863

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
706

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHwIQCAAADE7BmDQywINAAgCIAiVSUAKCAAAlBwAIiAFIbsgKZjLBl5GUcQhmxgHY2YecyPCOwAACQAATAACAAASAACYAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indoline-6-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)-6-indolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-oxo-4-(trifluoromethyl)indole-6-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-oxidanyl-2-oxidanylidene-4-(trifluoromethyl)indole-6-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(2-chlorophenyl)-1-[2-(diethylamino)ethyl]-3-hydroxy-2-keto-4-(trifluoromethyl)indoline-6-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H23ClF3N3O3/c1-3-28(4-2)9-10-29-17-12-13(19(27)30)11-15(22(24,25)26)18(17)21(32,20(29)31)14-7-5-6-8-16(14)23/h5-8,11-12,32H,3-4,9-10H2,1-2H3,(H2,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
YSSPGXCFFITNCE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
469.1380038

> <PUBCHEM_MOLECULAR_FORMULA>
C22H23ClF3N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
469.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC=CC=C3Cl)O)C(F)(F)F)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCN1C2=CC(=CC(=C2C(C1=O)(C3=CC=CC=C3Cl)O)C(F)(F)F)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
86.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
469.1380038

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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>
12  13  8
12  16  8
13  19  8
16  20  8
17  23  8
17  24  8
19  21  8
20  21  8
23  28  8
24  29  8
28  32  8
29  32  8
11  5  3

$$$$