69345280
  -OEChem-05221316512D

 45 47  0     1  0  0  0  0  0999 V2000
    5.4641    1.8877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    2.3877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.3877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.1123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    0.8669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7282    1.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    0.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8222    2.4223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.3877    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.1962    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.1123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.8877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373    0.2832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    0.9729    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    1.8024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9373    2.4922    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176   -0.1168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158   -0.1260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158    2.9014    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4176    2.8921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6592    2.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.1949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -0.5047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.5777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.0077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    2.1977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951   -2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.4223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  2  0  0  0  0
  2 21  2  0  0  0  0
  3 11  1  0  0  0  0
  3 15  2  0  0  0  0
  4 14  1  0  0  0  0
  4 16  1  0  0  0  0
  4 38  1  0  0  0  0
  5 21  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  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 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 14  2  0  0  0  0
 12 33  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 15 35  1  0  0  0  0
 17 21  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19 39  1  0  0  0  0
 20 23  2  0  0  0  0
 20 40  1  0  0  0  0
 22 24  2  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 23 42  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69345280

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
448

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAACxwAAAHgAQAAAADQjBngQ8wJLIEACoAzV3VACCgCAxEiAI2CE4dJgIYPLAlZGUIAhglADIyAcdiMCOgAAAAAAAAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide

> <PUBCHEM_IUPAC_NAME>
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)butanediamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-phenyl-N-(5,6,7,8-tetrahydroquinolin-3-yl)succinamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H21N3O2/c20-18(23)11-16(13-6-2-1-3-7-13)19(24)22-15-10-14-8-4-5-9-17(14)21-12-15/h1-3,6-7,10,12,16H,4-5,8-9,11H2,(H2,20,23)(H,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
VVVADECRIAHJCP-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
323.163377

> <PUBCHEM_MOLECULAR_FORMULA>
C19H21N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
323.38894

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2=NC=C(C=C2C1)NC(=O)C(CC(=O)N)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2=NC=C(C=C2C1)NC(=O)C(CC(=O)N)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
85.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
323.163377

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
9

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
10  12  8
12  14  8
13  17  3
14  15  8
18  19  8
18  20  8
19  22  8
20  23  8
22  24  8
23  24  8
3  11  8
3  15  8

$$$$