69647347
  -OEChem-05072411522D

 46 49  0     0  0  0  0  0  0999 V2000
    4.9672    2.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830   -1.9325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0080    0.0505    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9021   -1.5119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8830    0.0135    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    0.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8001   -0.9841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9180    1.5574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.0574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5848   -2.2919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3336   -1.6291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7768   -3.3156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9471    2.7052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265   -1.9442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7621   -3.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5421   -2.9633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1341   -0.6492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2643    3.6536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2127    3.3364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4122    2.3566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8314   -0.3037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3606    2.0394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1485    0.6447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0434    1.0910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1870    0.2474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3811    1.8674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7841    2.6774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3078   -3.7211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9635    2.0855    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5604    2.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7860   -1.5280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.2990    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8835   -4.2616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1309   -3.1577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5461   -0.4526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9876    4.2084    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6770    3.7473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    1.9457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081   -0.8585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9154    2.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6806    1.0514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5114    0.6843    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 16  1  0  0  0  0
  2  9  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3 18  2  0  0  0  0
  4  9  2  0  0  0  0
  4 18  1  0  0  0  0
  5 21  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 29  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 17  1  0  0  0  0
 14 21  2  0  0  0  0
 15 19  2  0  0  0  0
 15 32  1  0  0  0  0
 16 22  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 20  2  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  2  3  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 26  2  0  0  0  0
 24 42  1  0  0  0  0
 25 27  1  0  0  0  0
 25 43  1  0  0  0  0
 26 28  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  2  0  0  0  0
 27 45  1  0  0  0  0
 28 46  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
69647347

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
784

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7oAAAAAAAAAAAAAAAAAAAAAAAAAA8QIAAAAAAAACx8AAAHgAAAAAADAzhngY19vYIFACgAzZnZACCiCkxIqAJ2CA+bJiMLqLE+duGPCjswBNI6CewwBAOAEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(8E,12E,14E)-19-oxa-2,10,24,26-tetrazatetracyclo[18.6.2.03,8.023,27]octacosa-1(26),2,4,6,8,10,12,14,16,20(28),21,23(27),24-tridecaene

> <PUBCHEM_IUPAC_CAS_NAME>
(8E,12E,14E)-19-oxa-2,10,24,26-tetrazatetracyclo[18.6.2.03,8.023,27]octacosa-1(26),2,4,6,8,10,12,14,16,20(28),21,23(27),24-tridecaene

> <PUBCHEM_IUPAC_NAME_MARKUP>
(8<I>E</I>,12<I>E</I>,14<I>E</I>)-19-oxa-2,10,24,26-tetrazatetracyclo[18.6.2.0<SUP>3,8</SUP>.0<SUP>23,27</SUP>]octacosa-1(26),2,4,6,8,10,12,14,16,20(28),21,23(27),24-tridecaene

> <PUBCHEM_IUPAC_NAME>
(8E,12E,14E)-19-oxa-2,10,24,26-tetrazatetracyclo[18.6.2.03,8.023,27]octacosa-1(26),2,4,6,8,10,12,14,16,20(28),21,23(27),24-tridecaene

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(8E,12E,14E)-19-oxa-2,10,24,26-tetrazatetracyclo[18.6.2.03,8.023,27]octacosa-1(26),2,4,6,8,10,12,14,16,20(28),21,23(27),24-tridecaene

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(8E,12E,14E)-19-oxa-2,10,24,26-tetrazatetracyclo[18.6.2.03,8.023,27]octacosa-1(26),2,4,6,8,10,12,14,16,20(28),21,23(27),24-tridecaene

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H18N4O/c1-2-4-8-14-28-19-11-12-22-20(15-19)23(26-17-25-22)27-21-10-6-5-9-18(21)16-24-13-7-3-1/h1-13,15-17H,14H2/b2-1+,7-3+,8-4?,18-16+,24-13?,27-21?

> <PUBCHEM_IUPAC_INCHIKEY>
SSYJAGXJNSJGGR-MWYVRKCJSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
366.14806121

> <PUBCHEM_MOLECULAR_FORMULA>
C23H18N4O

> <PUBCHEM_MOLECULAR_WEIGHT>
366.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C=CC=CC=CC=NC=C2C=CC=CC2=NC3=NC=NC4=C3C=C(O1)C=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C=C/C=C/C=C/C=N/C=C/2\C=CC=CC2=NC3=NC=NC4=C3C=C(O1)C=C4

> <PUBCHEM_CACTVS_TPSA>
59.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
366.14806121

> <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>
3

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
1

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  12  8
11  12  8
13  14  8
13  15  8
14  17  8
15  19  8
17  20  8
19  20  8
22  23  1
3  18  8
3  7  8
4  18  8
4  9  8
6  7  8
6  8  8
6  9  8
7  11  8
8  10  8

$$$$