56163710
  -OEChem-05082416362D

 49 52  0     1  0  0  0  0  0999 V2000
    7.9128   -0.1682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.6682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -2.6627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    1.3318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.6682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8558    1.9196    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5468    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5468    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2378    1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8069    1.6106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0148    0.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5500    2.2797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9658    0.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5011    1.9707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7090    0.9925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1737   -0.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6600    0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -0.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -1.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -1.2615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2942    2.3580    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1532    2.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4820    3.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6116    3.4872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9403    2.9995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6714    2.1718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9278    1.3826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5540    0.2176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4211    2.8862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9618    2.3855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5673   -0.7837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3026   -1.2612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7802   -0.5258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4684    0.0939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2497    0.4919    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8516    1.2732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -2.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118    0.1418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -0.6550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3834   -1.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2478   -3.4370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 19  2  0  0  0  0
  3 24  1  0  0  0  0
  3 27  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 23  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 35  1  0  0  0  0
 13 16  2  0  0  0  0
 13 36  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 21  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 38  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  2  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56163710

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
669

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAAwQAAAAAAAAAABwAAAHgAQAAAADCzhmAYyBIPABECIAq1S0ACCCAAkIgAIiAGODMgOJjqM9TuHOSjkxhGYqYeYkcIOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-6-(2-furyl)-1H-pyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
3-[[2-(3,4-dimethylphenyl)-1-pyrrolidinyl]-oxomethyl]-6-(2-furanyl)-1H-pyridin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-6-(furan-2-yl)-1<I>H</I>-pyridin-2-one

> <PUBCHEM_IUPAC_NAME>
3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]carbonyl-6-(furan-2-yl)-1H-pyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-[2-(3,4-dimethylphenyl)pyrrolidine-1-carbonyl]-6-(2-furyl)-2-pyridone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H22N2O3/c1-14-7-8-16(13-15(14)2)19-5-3-11-24(19)22(26)17-9-10-18(23-21(17)25)20-6-4-12-27-20/h4,6-10,12-13,19H,3,5,11H2,1-2H3,(H,23,25)

> <PUBCHEM_IUPAC_INCHIKEY>
UTKYQTBWXRZCJL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
362.16304257

> <PUBCHEM_MOLECULAR_FORMULA>
C22H22N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
362.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=C(C=C1)C2CCCN2C(=O)C3=CC=C(NC3=O)C4=CC=CO4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=C(C=C1)C2CCCN2C(=O)C3=CC=C(NC3=O)C4=CC=CO4)C

> <PUBCHEM_CACTVS_TPSA>
62.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
362.16304257

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
10  12  8
10  13  8
12  14  8
13  16  8
14  17  8
15  19  8
15  20  8
16  17  8
20  22  8
22  23  8
24  25  8
25  26  8
26  27  8
3  24  8
3  27  8
5  19  8
5  23  8
6  10  3

$$$$