56890953
  -OEChem-04262415212D

 49 51  0     0  0  0  0  0  0999 V2000
    4.5981   -0.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8512    1.6284    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.4594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.9594    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.0406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4693    1.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1603    2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1603    2.5794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742   -2.0420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6728   -1.3518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947    0.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976    0.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7976   -2.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5947   -2.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1181    0.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7196   -0.5671    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3267    0.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5297    0.5155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656   -2.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626   -2.4344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2573   -1.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -0.1494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603   -2.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0632   -1.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.9845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0589    1.4368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.4225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.2694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.4964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5247    3.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7958    3.0810    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 17  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 20  1  0  0  0  0
  5 39  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  2  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 22  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 45  1  0  0  0  0
 22 46  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 24 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
56890953

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
396

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAASAAAAA8QAAAAAAAAAABwAAAHgAQAAAADAThmAYyBIPABECIAqlSkACCCAAkIAAIiIGODMgMZjKEtTuWOSjk1hGIqYe8yPCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-ethyl-2-[4-[[2-(2-furyl)phenyl]methyl]piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-ethyl-2-[4-[[2-(2-furanyl)phenyl]methyl]-1-piperazinyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-ethyl-2-[4-[[2-(furan-2-yl)phenyl]methyl]piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-ethyl-2-[4-[[2-(furan-2-yl)phenyl]methyl]piperazin-1-yl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-ethyl-2-[4-[[2-(furan-2-yl)phenyl]methyl]piperazin-1-yl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-ethyl-2-[4-[2-(2-furyl)benzyl]piperazino]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H25N3O2/c1-2-20-19(23)15-22-11-9-21(10-12-22)14-16-6-3-4-7-17(16)18-8-5-13-24-18/h3-8,13H,2,9-12,14-15H2,1H3,(H,20,23)

> <PUBCHEM_IUPAC_INCHIKEY>
UEUXMHYUVSGKBX-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2

> <PUBCHEM_EXACT_MASS>
327.19467705

> <PUBCHEM_MOLECULAR_FORMULA>
C19H25N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
327.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCNC(=O)CN1CCN(CC1)CC2=CC=CC=C2C3=CC=CO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCNC(=O)CN1CCN(CC1)CC2=CC=CC=C2C3=CC=CO3

> <PUBCHEM_CACTVS_TPSA>
48.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
327.19467705

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
12  14  8
12  15  8
14  16  8
15  18  8
16  19  8
17  21  8
18  19  8
2  17  8
2  24  8
21  23  8
23  24  8

$$$$