2973195
  -OEChem-05032420142D

 53 56  0     0  0  0  0  0  0999 V2000
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    9.1671   -5.4945    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8070   -4.2333    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.8994    5.4945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6353   -0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2136   -2.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564   -4.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0633    4.6298    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2277    3.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9004    5.9079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7318   -1.1031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3170   -1.4372    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 21  1  0  0  0  0
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 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
2973195

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
741

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OYAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHwAQAAAADAzhnhY8wPPMFACoA7V3VACCgCA1AiAI2CG4ZNgKYPrAlbGXIYhglgDYycccicCegAAAQAACAAAAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[3-(2-morpholino-2-oxo-acetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[3-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-indolyl]-N-[3-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-<I>N</I>-[3-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_NAME>
2-[3-(2-morpholin-4-yl-2-oxoacetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[3-(2-keto-2-morpholino-acetyl)indol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H20F3N3O4/c24-23(25,26)15-4-3-5-16(12-15)27-20(30)14-29-13-18(17-6-1-2-7-19(17)29)21(31)22(32)28-8-10-33-11-9-28/h1-7,12-13H,8-11,14H2,(H,27,30)

> <PUBCHEM_IUPAC_INCHIKEY>
UKWMAFFSHBHETQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
459.14059061

> <PUBCHEM_MOLECULAR_FORMULA>
C23H20F3N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
459.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC(=C4)C(F)(F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1COCCN1C(=O)C(=O)C2=CN(C3=CC=CC=C32)CC(=O)NC4=CC=CC(=C4)C(F)(F)F

> <PUBCHEM_CACTVS_TPSA>
80.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
459.14059061

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
13  15  8
13  18  8
14  15  8
14  22  8
15  23  8
22  24  8
23  25  8
24  25  8
27  28  8
27  29  8
28  30  8
29  31  8
30  32  8
31  32  8
9  14  8
9  18  8

$$$$