11374217
  -OEChem-05112406392D

 57 61  0     1  0  0  0  0  0999 V2000
    2.0000    1.9521    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.3241    0.9521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0511    2.7074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4521    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.4521    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7404    0.1474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7351    0.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4331   -0.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1962   -0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3215    0.8546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1035   -1.5462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4553   -1.0138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3162    0.7518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7961   -2.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1382   -0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1479   -1.9654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7246   -0.1610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8183   -2.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.4521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8842   -0.3931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297   -0.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267   -0.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    2.4271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    2.4271    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8501    2.0347    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4516    1.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0684    1.4206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7097   -1.4162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7799   -1.3705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0396   -0.5538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6798    1.2540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2118   -2.9578    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3913   -1.5370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5417   -2.0954    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3413   -0.2248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6278   -3.2974    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -0.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -0.5228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.7621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    2.5721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2  9  1  0  0  0  0
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  5  8  1  0  0  0  0
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  5 15  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7 16  1  0  0  0  0
  7 27  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  9 13  1  0  0  0  0
  9 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
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 13 19  1  0  0  0  0
 14 18  2  0  0  0  0
 14 20  1  0  0  0  0
 17 21  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  1  0  0  0  0
 18 42  1  0  0  0  0
 19 23  2  0  0  0  0
 19 43  1  0  0  0  0
 20 24  2  0  0  0  0
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 21 25  2  0  0  0  0
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 22 26  2  0  0  0  0
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 23 25  1  0  0  0  0
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 24 26  1  0  0  0  0
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 26 51  1  0  0  0  0
 27 28  1  0  0  0  0
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 27 53  1  0  0  0  0
 28 29  2  0  0  0  0
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 29 31  1  0  0  0  0
 29 54  1  0  0  0  0
 30 32  2  0  0  0  0
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 32 33  1  0  0  0  0
 32 57  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11374217

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
681

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MQAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgBUAAAHwAQAAAADGzBmAwxCIPABACIAiBCGACCAAAgAAAIiIAIDIiKZiKAsRmdMAhuxgOYqAeQwOAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydrooxazolo[3,4-a]pyrazine-7-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydrooxazolo[3,4-a]pyrazine-7-carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8<I>a</I>-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(4-fluorophenyl)methyl]-3-oxo-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(4-fluorophenyl)methyl]-3-oxidanylidene-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazine-7-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(4-fluorobenzyl)-3-keto-1,1-diphenyl-5,6,8,8a-tetrahydrooxazolo[3,4-a]pyrazine-7-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H24FN3O3/c27-22-13-11-19(12-14-22)17-28-24(31)29-15-16-30-23(18-29)26(33-25(30)32,20-7-3-1-4-8-20)21-9-5-2-6-10-21/h1-14,23H,15-18H2,(H,28,31)

> <PUBCHEM_IUPAC_INCHIKEY>
SFRQIPRTNYHJHP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.7

> <PUBCHEM_EXACT_MASS>
445.18016980

> <PUBCHEM_MOLECULAR_FORMULA>
C26H24FN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
445.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN2C(CN1C(=O)NCC3=CC=C(C=C3)F)C(OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN2C(CN1C(=O)NCC3=CC=C(C=C3)F)C(OC2=O)(C4=CC=CC=C4)C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
61.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
445.18016980

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
13  17  8
13  19  8
14  18  8
14  20  8
17  21  8
18  22  8
19  23  8
20  24  8
21  25  8
22  26  8
23  25  8
24  26  8
28  29  8
28  30  8
29  31  8
30  32  8
31  33  8
32  33  8
8  34  3

$$$$