645887
  -OEChem-05102410382D

 51 55  0     1  0  0  0  0  0999 V2000
    6.1810    2.9305    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816   -0.3683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4718   -0.4811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7402   -2.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5248    1.1877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1775   -0.7819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7914    2.1808    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.1334    1.2411    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.7649    2.7990    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5061    1.8331    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0283    3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1639    2.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9050    1.3243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7980    2.1435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3485    0.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5851    0.8457    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8191    1.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4115   -0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    1.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057    0.1617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1133    1.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0039   -1.7667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660   -0.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1736    1.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7699   -2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7002   -3.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6273   -3.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2701   -3.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6862    2.7918    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4489    0.7074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1343    3.2970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9676    2.2471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3461    4.3140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4152    3.8736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7138    2.5766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1914    0.7744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0601    0.4472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2940    1.8870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5091    2.0254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7601   -0.5698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1807   -0.2369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2210    2.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4213   -1.5546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6939   -2.3036    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6584   -0.7909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6987    1.8458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174    0.2504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1744   -3.7356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7773   -4.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8886   -3.0589    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 15  2  0  0  0  0
  3 18  2  0  0  0  0
  4 25  1  0  0  0  0
  4 29  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 22  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 14  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 15  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 38  1  0  0  0  0
 17 19  1  0  0  0  0
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 42  1  0  0  0  0
 21 24  2  0  0  0  0
 21 43  1  0  0  0  0
 22 25  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 26  2  0  0  0  0
 23 46  1  0  0  0  0
 24 26  1  0  0  0  0
 24 47  1  0  0  0  0
 25 27  2  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 29  2  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
645887

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
684

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAAAAAAAAAAAAAAAAAAAeJECAAwQAAAAAAWAAABwAAAHgAQAAAADSzhmAYwBIPABECIAqlSkACCCAAkIAAIiIGODMgOZjKEtTuXOSjk1jGYqYedmYKOgAAAAAAAAAAAAAAAAAAAAQAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-furylmethyl)-3-phenyl-propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-furanylmethyl)-3-phenylpropanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-(3,5-dioxo-4-azatricyclo[5.2.1.0<SUP>2,6</SUP>]dec-8-en-4-yl)-<I>N</I>-(furan-2-ylmethyl)-3-phenylpropanamide

> <PUBCHEM_IUPAC_NAME>
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(furan-2-ylmethyl)-3-phenylpropanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[3,5-bis(oxidanylidene)-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(furan-2-ylmethyl)-3-phenyl-propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-(3,5-diketo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-N-(2-furfuryl)-3-phenyl-propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H22N2O4/c26-21(24-13-17-7-4-10-29-17)18(11-14-5-2-1-3-6-14)25-22(27)19-15-8-9-16(12-15)20(19)23(25)28/h1-10,15-16,18-20H,11-13H2,(H,24,26)

> <PUBCHEM_IUPAC_INCHIKEY>
VWNCTUPXYXYUEH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
390.15795719

> <PUBCHEM_MOLECULAR_FORMULA>
C23H22N2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
390.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C2C=CC1C3C2C(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)NCC5=CC=CO5

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C2C=CC1C3C2C(=O)N(C3=O)C(CC4=CC=CC=C4)C(=O)NCC5=CC=CO5

> <PUBCHEM_CACTVS_TPSA>
79.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
390.15795719

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
29

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
5

> <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  11  3
16  17  3
19  20  8
19  21  8
20  23  8
21  24  8
23  26  8
24  26  8
25  27  8
27  28  8
28  29  8
4  25  8
4  29  8
7  14  3
8  15  3
9  11  3

$$$$