24192625
  -OEChem-04252409202D

 41 42  0     0  0  0  0  0  0999 V2000
    3.1382    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    3.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    7.4966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    7.9966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    4.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    3.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    6.4966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    4.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    3.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6106    4.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    2.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    4.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2087    5.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    4.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    4.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9407    5.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0747    6.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346    4.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8346    6.5313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    4.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    6.0174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    7.4966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4766    7.9966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    5.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    5.4716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5547    2.9140    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9532    3.6043    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3985    5.0792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    2.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8751    2.5217    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0736    3.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8057    6.1866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275    3.8420    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8275    7.1512    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    4.6638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2764    6.3295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7866    8.5336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9397    8.3066    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1666    7.4597    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1382    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 41  1  0  0  0  0
  2 14  2  0  0  0  0
  3 17  2  0  0  0  0
  4 22  2  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 32  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 33  1  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  2  0  0  0  0
 16 17  1  0  0  0  0
 16 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 21  2  0  0  0  0
 20 36  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24192625

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
535

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAEAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACBAAAAHgAQAAAADAzBmAQyAIPAAACIAqVSUAACAAAkAAAIiIGIAMgIYDKAlTGUIQAglACIiccZiYCOgAAAAAAQAAAAAAAAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(1,4-dioxo-3-piperazin-1-yl-2-naphthyl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1,4-dioxo-3-(1-piperazinyl)-2-naphthalenyl]acetamide;hydrochloride

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(1,4-dioxo-3-piperazin-1-ylnaphthalen-2-yl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_NAME>
N-(1,4-dioxo-3-piperazin-1-ylnaphthalen-2-yl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1,4-bis(oxidanylidene)-3-piperazin-1-yl-naphthalen-2-yl]ethanamide;hydrochloride

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(1,4-diketo-3-piperazino-2-naphthyl)acetamide;hydrochloride

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H17N3O3.ClH/c1-10(20)18-13-14(19-8-6-17-7-9-19)16(22)12-5-3-2-4-11(12)15(13)21;/h2-5,17H,6-9H2,1H3,(H,18,20);1H

> <PUBCHEM_IUPAC_INCHIKEY>
IZZKEAUJWCCFGH-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
335.1036691

> <PUBCHEM_MOLECULAR_FORMULA>
C16H18ClN3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
335.78

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)N3CCNCC3.Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NC1=C(C(=O)C2=CC=CC=C2C1=O)N3CCNCC3.Cl

> <PUBCHEM_CACTVS_TPSA>
78.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
335.1036691

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
15  16  8
15  18  8
16  19  8
18  20  8
19  21  8
20  21  8

$$$$