69762119
  -OEChem-04192415312D

 49 52  0     0  0  0  0  0  0999 V2000
    7.2641   -2.7327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -1.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -3.2327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    1.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.7535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -1.7327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9340    2.7673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -1.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8622   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9215    0.3750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3200   -0.3153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    1.1597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    1.8499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9350    0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -0.6127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690   -3.0427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2030    3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -0.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.3998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    1.4573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    3.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -3.0656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5932    0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962   -2.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    3.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9962    0.8873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991   -1.5427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    0.0773    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3 33  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  5 30  1  0  0  0  0
  6  8  1  0  0  0  0
  6 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8 15  2  0  0  0  0
  8 16  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 17  2  0  0  0  0
 10 34  1  0  0  0  0
 11 14  1  0  0  0  0
 12 18  2  0  0  0  0
 13 35  1  0  0  0  0
 14 23  2  0  0  0  0
 14 24  1  0  0  0  0
 15 20  1  0  0  0  0
 15 36  1  0  0  0  0
 16 21  2  0  0  0  0
 16 37  1  0  0  0  0
 17 19  1  0  0  0  0
 17 38  1  0  0  0  0
 18 22  1  0  0  0  0
 18 39  1  0  0  0  0
 19 22  2  0  0  0  0
 19 40  1  0  0  0  0
 20 25  2  0  0  0  0
 20 41  1  0  0  0  0
 21 25  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 26  1  0  0  0  0
 23 44  1  0  0  0  0
 24 27  2  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 28  2  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 28 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69762119

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
484

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAAAAAAA8YMEAAAAAAACx9AAAHgAYAAAADAjBngQ8wPJqEACoAzV3VACChCA1EiAa+KE4dNgIYPLAlZGUIQhglADIyYcYiICOAAAAAAACAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N'-(2-phenylethyl)-N-(3-quinolyl)benzohydrazide

> <PUBCHEM_IUPAC_CAS_NAME>
N'-(2-phenylethyl)-N-(3-quinolinyl)benzohydrazide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>&apos;-(2-phenylethyl)-<I>N</I>-quinolin-3-ylbenzohydrazide

> <PUBCHEM_IUPAC_NAME>
N'-(2-phenylethyl)-N-quinolin-3-ylbenzohydrazide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N'-(2-phenylethyl)-N-quinolin-3-yl-benzohydrazide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N'-phenethyl-N-(3-quinolyl)benzohydrazide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H21N3O/c28-24(20-11-5-2-6-12-20)27(26-16-15-19-9-3-1-4-10-19)22-17-21-13-7-8-14-23(21)25-18-22/h1-14,17-18,26H,15-16H2

> <PUBCHEM_IUPAC_INCHIKEY>
QBYUEYDZOVFDNE-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.9

> <PUBCHEM_EXACT_MASS>
367.168462302

> <PUBCHEM_MOLECULAR_FORMULA>
C24H21N3O

> <PUBCHEM_MOLECULAR_WEIGHT>
367.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)CCNN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)CCNN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
367.168462302

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <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  18  8
14  23  8
14  24  8
15  20  8
16  21  8
17  19  8
18  22  8
19  22  8
20  25  8
21  25  8
23  26  8
24  27  8
26  28  8
27  28  8
4  12  8
4  13  8
7  10  8
7  13  8
8  15  8
8  16  8
9  10  8
9  12  8
9  17  8

$$$$