52359705
  -OEChem-05052416132D

 48 51  0     1  0  0  0  0  0999 V2000
    8.1301    1.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9392   -1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3211   -1.8184    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2306    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1301   -1.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6301   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8902   -1.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6301   -2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    1.8041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -0.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    2.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932   -0.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    0.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.8506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946   -3.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0818   -2.0990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4799   -1.3178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6986   -0.9197    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2657   -3.2710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622    2.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651   -0.0406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2651    1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.5794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    2.4240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.8852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7501    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301    3.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5101    2.7694    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.6023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -0.0635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 26  1  0  0  0  0
  2 13  2  0  0  0  0
  7  3  1  6  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  2  0  0  0  0
  5 15  1  0  0  0  0
  6 17  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 16  2  0  0  0  0
 11 18  1  0  0  0  0
 11 31  1  0  0  0  0
 12 15  2  0  0  0  0
 12 32  1  0  0  0  0
 13 17  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 19  1  0  0  0  0
 16 37  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
 21 25  2  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 27  1  0  0  0  0
 24 42  1  0  0  0  0
 25 28  1  0  0  0  0
 25 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
52359705

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
531

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7sAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAACx/AAAHgAQAAAADCzBnwY/1vfMFACoAzd3dACCiC03MqAJ2KG+fNiMbvLEvbuUMShuxhPI6ae4yKCOAAAAAAAKAAAAAAAAABQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[(R)-(2-methoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-2-quinolinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[(<I>R</I>)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinoline-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[(R)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]quinaldamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H20N4O2/c1-26-14-13-23-21(26)20(16-8-4-6-10-19(16)28-2)25-22(27)18-12-11-15-7-3-5-9-17(15)24-18/h3-14,20H,1-2H3,(H,25,27)/t20-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CJIMLRFJEYQQHO-HXUWFJFHSA-N

> <PUBCHEM_XLOGP3_AA>
3.1

> <PUBCHEM_EXACT_MASS>
372.15862589

> <PUBCHEM_MOLECULAR_FORMULA>
C22H20N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
372.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C=CN=C1C(C2=CC=CC=C2OC)NC(=O)C3=NC4=CC=CC=C4C=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C=CN=C1[C@@H](C2=CC=CC=C2OC)NC(=O)C3=NC4=CC=CC=C4C=C3

> <PUBCHEM_CACTVS_TPSA>
69

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
372.15862589

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  16  8
11  18  8
12  15  8
16  19  8
17  22  8
18  19  8
20  21  8
20  23  8
20  24  8
21  25  8
22  23  8
24  27  8
25  28  8
27  28  8
7  3  6
4  12  8
4  8  8
5  15  8
5  8  8
6  17  8
6  21  8
9  10  8
9  11  8

$$$$