69325856
  -OEChem-04192415592D

 67 71  0     0  0  0  0  0  0999 V2000
    8.2619    0.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    3.6211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -2.3798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -0.7091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6783   -0.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.5751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2619   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9889   -3.3304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9674   -3.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2781   -4.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -1.5751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2619    1.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619   -2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619   -2.4411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    1.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619    2.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619   -3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    2.7550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619   -3.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619   -0.7091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2619    0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2619    0.1570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7619    1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7619    1.0230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7619    4.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1542   -2.1857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8445   -1.7872    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3751   -3.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9684   -3.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869    0.5555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7869   -0.2416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5812   -3.4492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -2.9169    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.0449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6888   -4.6797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4707   -5.0764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8674   -4.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0719    0.4860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419    1.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.7651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.3851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1419   -2.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3819   -2.4411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8819    1.8890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4519    3.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9519   -3.8441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5719   -3.8441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719   -1.2460    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6419    0.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8819    0.1570    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4519    1.5599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0719    1.5599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    4.7971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4519    5.0240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2249    4.1771    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 30  1  0  0  0  0
  2 37  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4 11  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  2  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 13  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 44  1  0  0  0  0
 13 45  1  0  0  0  0
 14 16  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 19  1  0  0  0  0
 16 24  2  0  0  0  0
 17 22  2  0  0  0  0
 17 46  1  0  0  0  0
 18 47  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 25  1  0  0  0  0
 19 26  2  0  0  0  0
 20 27  1  0  0  0  0
 20 50  1  0  0  0  0
 21 28  2  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 24 29  1  0  0  0  0
 24 54  1  0  0  0  0
 25 32  2  0  0  0  0
 25 33  1  0  0  0  0
 26 31  1  0  0  0  0
 26 55  1  0  0  0  0
 27 30  2  0  0  0  0
 27 56  1  0  0  0  0
 28 30  1  0  0  0  0
 28 57  1  0  0  0  0
 29 31  2  0  0  0  0
 29 58  1  0  0  0  0
 31 59  1  0  0  0  0
 32 34  1  0  0  0  0
 32 60  1  0  0  0  0
 33 35  2  0  0  0  0
 33 61  1  0  0  0  0
 34 36  2  0  0  0  0
 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
 37 66  1  0  0  0  0
 37 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69325856

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
705

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
9

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFgB/AAAHgAAAAAADAzBnwY/9r8MFACoAzd3dACCiC01MqAJ2CE+fNiMbvLEvZuUMShsxhPI6aeY2MKOoAAAAAAQAABAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(4-methoxyphenyl)methyl]-2-phenyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(4-methoxyphenyl)methyl]-2-phenyl-N-[(3-propyl-2-imidazo[4,5-b]pyridinyl)methyl]benzamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(4-methoxyphenyl)methyl]-2-phenyl-<I>N</I>-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_NAME>
N-[(4-methoxyphenyl)methyl]-2-phenyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(4-methoxyphenyl)methyl]-2-phenyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-p-anisyl-2-phenyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H30N4O2/c1-3-20-35-29(33-28-14-9-19-32-30(28)35)22-34(21-23-15-17-25(37-2)18-16-23)31(36)27-13-8-7-12-26(27)24-10-5-4-6-11-24/h4-19H,3,20-22H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
DTRIFKGWKNWXQO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
5.6

> <PUBCHEM_EXACT_MASS>
490.23687621

> <PUBCHEM_MOLECULAR_FORMULA>
C31H30N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
490.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCN1C(=NC2=C1N=CC=C2)CN(CC3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4C5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCN1C(=NC2=C1N=CC=C2)CN(CC3=CC=C(C=C3)OC)C(=O)C4=CC=CC=C4C5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
60.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
490.23687621

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <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>
10  12  8
12  17  8
15  20  8
15  21  8
16  19  8
16  24  8
17  22  8
19  26  8
20  27  8
21  28  8
22  23  8
24  29  8
25  32  8
25  33  8
26  31  8
27  30  8
28  30  8
29  31  8
3  10  8
3  7  8
32  34  8
33  35  8
34  36  8
35  36  8
5  12  8
5  7  8
6  10  8
6  23  8

$$$$