68737247
  -OEChem-04242405362D

 63 66  0     0  0  0  0  0  0999 V2000
   14.1244   -2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5263   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2583   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3923   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6603    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9904   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7224   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6164   -1.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6164    0.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5224   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5224   -0.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9157   -1.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3142   -1.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8689   -0.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4704    0.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9938   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7908   -2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1972    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564   -2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4534    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    2.3700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3913   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8564    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6092   -2.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6092    0.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0656    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8626    0.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0582   -1.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0582    0.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.2250    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    0.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 24  2  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  6 12  2  0  0  0  0
  6 21  1  0  0  0  0
  7 24  1  0  0  0  0
  7 27  1  0  0  0  0
  7 54  1  0  0  0  0
  8 10  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 11  1  0  0  0  0
  9 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  2  0  0  0  0
 15 42  1  0  0  0  0
 16 19  1  0  0  0  0
 16 43  1  0  0  0  0
 17 23  2  0  0  0  0
 17 44  1  0  0  0  0
 18 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 47  1  0  0  0  0
 25 29  1  0  0  0  0
 25 48  1  0  0  0  0
 26 30  1  0  0  0  0
 26 49  1  0  0  0  0
 27 28  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 28 31  1  0  0  0  0
 28 52  1  0  0  0  0
 28 53  1  0  0  0  0
 29 30  2  0  0  0  0
 29 55  1  0  0  0  0
 30 56  1  0  0  0  0
 31 57  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 59  1  0  0  0  0
 32 60  1  0  0  0  0
 33 61  1  0  0  0  0
 33 62  1  0  0  0  0
 33 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68737247

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
637

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAADB1AAAHgAQAAAADADhmgY/sNPIFACoAjN3dACCgCk1AiAJ2KE4ZNiIYPrA3ZGWIYhqlgLIyecYicCOwAACAAAQAACAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-ethoxypropyl)-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-ethoxypropyl)-6-[4-[2-naphthalenyl(oxo)methyl]-1-piperazinyl]-3-pyridinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-ethoxypropyl)-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3-ethoxypropyl)-6-[4-(naphthalene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-(3-ethoxypropyl)-6-(4-naphthalen-2-ylcarbonylpiperazin-1-yl)pyridine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-ethoxypropyl)-6-[4-(2-naphthoyl)piperazino]nicotinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H30N4O3/c1-2-33-17-5-12-27-25(31)23-10-11-24(28-19-23)29-13-15-30(16-14-29)26(32)22-9-8-20-6-3-4-7-21(20)18-22/h3-4,6-11,18-19H,2,5,12-17H2,1H3,(H,27,31)

> <PUBCHEM_IUPAC_INCHIKEY>
RQRKWRBIMYSLGC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
446.23179083

> <PUBCHEM_MOLECULAR_FORMULA>
C26H30N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
446.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOCCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOCCCNC(=O)C1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4C=C3

> <PUBCHEM_CACTVS_TPSA>
74.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
446.23179083

> <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>
12  15  8
14  16  8
14  17  8
15  18  8
16  19  8
17  23  8
18  20  8
19  22  8
19  25  8
20  21  8
22  23  8
22  26  8
25  29  8
26  30  8
29  30  8
6  12  8
6  21  8

$$$$