65709
  -OEChem-04242419512D

 54 56  0     0  0  0  0  0  0999 V2000
    6.3981   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -3.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.7500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.2847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    3.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -2.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540   -2.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426   -2.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441   -2.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087   -4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101   -3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540   -3.6674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0555   -4.3577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6101    0.1674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0087    0.8577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0181   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0460   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -5.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2860   -5.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.4046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    1.9400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5741    4.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010    5.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9541    5.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 12  2  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 17  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 12 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 20  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
 18 21  1  0  0  0  0
 18 45  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  2  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
 23 25  2  0  0  0  0
 23 49  1  0  0  0  0
 24 26  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 27 54  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
65709

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
510

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAHgAAAAAADAzBmAYyxoMABACoAyVyVACCCAAhIgAIiAE+fIgMZjLEsZuUMChkxhHI6AeYyKCOIAAAAAAAACBAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]-2-quinoxalinone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one

> <PUBCHEM_IUPAC_NAME>
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[2-(diethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]quinoxalin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[2-(diethylamino)ethyl]-3-p-anisyl-quinoxalin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3

> <PUBCHEM_IUPAC_INCHIKEY>
MSPRUJDUTKRMLM-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
365.21032711

> <PUBCHEM_MOLECULAR_FORMULA>
C22H27N3O2

> <PUBCHEM_MOLECULAR_WEIGHT>
365.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCN(CC)CCN1C2=CC=CC=C2N=C(C1=O)CC3=CC=C(C=C3)OC

> <PUBCHEM_CACTVS_TPSA>
45.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
365.21032711

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
11  12  8
13  18  8
15  20  8
18  21  8
19  22  8
19  23  8
20  21  8
22  24  8
23  25  8
24  26  8
25  26  8
3  11  8
3  8  8
5  12  8
5  13  8
8  13  8
8  15  8

$$$$