70679362
  -OEChem-05112406132D

 65 71  0     1  0  0  0  0  0999 V2000
    8.2788    2.6160    0.0000 O   0  3  3  0  0  0  0  0  0  0  0  0
    8.7788    3.4826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    2.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2788    2.6160    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
   11.3769    1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.9455    4.2445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7546    2.8433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -4.2445    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691   -2.8433    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788    1.7500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6448    1.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.9128    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9128    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5109    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2429    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8410    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9750    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090    3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9237    4.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4237    3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -4.4524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -3.5864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6448    1.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3759    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1818   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7788   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3769    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090    0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7060    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3210    3.5877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5119    1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090    3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1026   -3.5877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4848    4.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8835    2.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4901    4.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7321    5.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8385    3.1257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9253    3.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.6300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7177   -3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336   -4.7046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -5.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851   -3.1257    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984   -3.9508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389   -4.6594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402   -2.2368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -3.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 12  1  0  0  0  0
  2  5  1  0  0  0  0
  3 17  2  0  0  0  0
  4 19  2  0  0  0  0
  5 12  1  0  0  0  0
  6 17  1  0  0  0  0
  6 20  1  0  0  0  0
  6 42  1  0  0  0  0
  7 19  1  0  0  0  0
  7 23  1  0  0  0  0
  7 43  1  0  0  0  0
  8 24  1  0  0  0  0
  8 32  1  0  0  0  0
  8 50  1  0  0  0  0
  9 24  1  0  0  0  0
  9 33  1  0  0  0  0
  9 51  1  0  0  0  0
 10 28  1  0  0  0  0
 10 34  1  0  0  0  0
 10 62  1  0  0  0  0
 11 28  1  0  0  0  0
 11 35  1  0  0  0  0
 11 63  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 17  1  0  0  0  0
 13 38  1  0  0  0  0
 14 16  2  0  0  0  0
 14 39  1  0  0  0  0
 15 18  2  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 26  1  0  0  0  0
 21 44  1  0  0  0  0
 22 27  2  0  0  0  0
 22 45  1  0  0  0  0
 23 29  2  0  0  0  0
 23 30  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
 28 31  1  0  0  0  0
 28 49  1  0  0  0  0
 29 36  1  0  0  0  0
 29 56  1  0  0  0  0
 30 37  2  0  0  0  0
 30 57  1  0  0  0  0
 31 36  2  0  0  0  0
 31 37  1  0  0  0  0
 32 33  1  0  0  0  0
 32 52  1  0  0  0  0
 32 53  1  0  0  0  0
 33 54  1  0  0  0  0
 33 55  1  0  0  0  0
 34 35  1  0  0  0  0
 34 58  1  0  0  0  0
 34 59  1  0  0  0  0
 35 60  1  0  0  0  0
 35 61  1  0  0  0  0
 36 64  1  0  0  0  0
 37 65  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
70679362

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
962

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
6

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAFixYAWLAAAAwYIAAAAAAAAAB0AAAHgAUBAAADQzBmAQxwILQYACJAiVSUwCCAAAhAgAoiIEIZMiIZD7A0ZGUMAhq9ALIyYcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N1',N4'-bis(4-imidazolidin-2-ylphenyl)spiro[2-oxa-1-oxonia-3-azabicyclo[1.1.0]butane-4,3'-cyclohexa-1,5-diene]-1',4'-dicarboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N1',N4'-bis[4-(2-imidazolidinyl)phenyl]spiro[2-oxa-1-oxonia-3-azabicyclo[1.1.0]butane-4,3'-cyclohexa-1,5-diene]-1',4'-dicarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-<I>N</I>&apos;,4-<I>N</I>&apos;-bis(4-imidazolidin-2-ylphenyl)spiro[2-oxa-1-oxonia-3-azabicyclo[1.1.0]butane-4,3&apos;-cyclohexa-1,5-diene]-1&apos;,4&apos;-dicarboxamide

> <PUBCHEM_IUPAC_NAME>
1-N',4-N'-bis(4-imidazolidin-2-ylphenyl)spiro[2-oxa-1-oxonia-3-azabicyclo[1.1.0]butane-4,3'-cyclohexa-1,5-diene]-1',4'-dicarboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N1',N4'-bis(4-imidazolidin-2-ylphenyl)spiro[2-oxa-1-oxonia-3-azabicyclo[1.1.0]butane-4,3'-cyclohexa-1,5-diene]-1',4'-dicarboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N,N'-bis(4-imidazolidin-2-ylphenyl)spiro[2-oxa-1-oxonia-3-azabicyclo[1.1.0]butane-4,3'-cyclohexa-1,5-diene]-1',4'-dicarboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C26H27N7O4/c34-24(31-19-6-1-16(2-7-19)22-27-11-12-28-22)18-5-10-21(26(15-18)33-36-37(26)33)25(35)32-20-8-3-17(4-9-20)23-29-13-14-30-23/h1-10,15,21-23,27-30H,11-14H2,(H-,31,32,34,35)/p+1

> <PUBCHEM_IUPAC_INCHIKEY>
APNQEXGGYQAWGT-UHFFFAOYSA-O

> <PUBCHEM_EXACT_MASS>
502.22027740

> <PUBCHEM_MOLECULAR_FORMULA>
C26H28N7O4+

> <PUBCHEM_MOLECULAR_WEIGHT>
502.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CNC(N1)C2=CC=C(C=C2)NC(=O)C3C=CC(=CC34N5[O+]4O5)C(=O)NC6=CC=C(C=C6)C7NCCN7

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CNC(N1)C2=CC=C(C=C2)NC(=O)C3C=CC(=CC34N5[O+]4O5)C(=O)NC6=CC=C(C=C6)C7NCCN7

> <PUBCHEM_CACTVS_TPSA>
125

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
502.22027740

> <PUBCHEM_TOTAL_CHARGE>
1

> <PUBCHEM_HEAVY_ATOM_COUNT>
37

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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  14  3
13  17  3
20  21  8
20  22  8
21  26  8
22  27  8
23  29  8
23  30  8
25  26  8
25  27  8
29  36  8
30  37  8
31  36  8
31  37  8

$$$$