22714308
  -OEChem-05122402252D

 39 42  0     0  0  0  0  0  0999 V2000
    2.0000    0.6534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3081   -2.0246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    2.9898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    2.9898    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    1.4690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    1.3966    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4782   -0.0047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    0.9552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    1.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0631   -0.0447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    0.9899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    2.4898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0747    3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1914   -0.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9233   -0.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9808    2.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1798   -1.5346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9118   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0400   -2.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -0.2126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0933   -1.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2965   -3.0245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147    0.3699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0675    3.6445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6581   -0.2185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4638   -0.2510    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5165    2.8227    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4451   -1.8708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    2.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0328   -2.6646    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5269   -0.8740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8411   -1.6925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6597   -1.3783    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6766   -3.0173    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2893   -3.6445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9165   -3.0317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 23  1  0  0  0  0
  2 20  1  0  0  0  0
  2 25  1  0  0  0  0
  3 15  2  0  0  0  0
  4 10  2  0  0  0  0
  4 15  1  0  0  0  0
  5  9  2  0  0  0  0
  5 19  1  0  0  0  0
  6 14  1  0  0  0  0
  6 32  1  0  0  0  0
  7 14  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 17  2  0  0  0  0
 13 18  1  0  0  0  0
 16 19  2  0  0  0  0
 16 27  1  0  0  0  0
 17 20  1  0  0  0  0
 17 28  1  0  0  0  0
 18 21  2  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 31  1  0  0  0  0
 22 33  1  0  0  0  0
 23 24  1  0  0  0  0
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 24 36  1  0  0  0  0
 25 37  1  0  0  0  0
 25 38  1  0  0  0  0
 25 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22714308

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
801

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7sAAAAAAAAAAAAAAAAAAAAQAAAAAwQIAAAAAAAACBAAAAHgAUAAAADAzBmAYzBoJQBACoAyF2VACCCAAgIgAIiAE2CNgMJqKEMRqAMCAkwBEIqEeAwLAOAAABAAAAAAAAAAIAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3Z)-5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-ylidene)-1,6-naphthyridin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3Z)-5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-ylidene)-1,6-naphthyridin-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>Z</I>)-5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-ylidene)-1,6-naphthyridin-2-one

> <PUBCHEM_IUPAC_NAME>
(3Z)-5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-ylidene)-1,6-naphthyridin-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3Z)-5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-ylidene)-1,6-naphthyridin-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3Z)-5-(3-methoxyphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-ylidene)-1,6-naphthyridin-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C18H14N4O3/c1-10-20-17(22-25-10)14-9-13-15(21-18(14)23)6-7-19-16(13)11-4-3-5-12(8-11)24-2/h3-9,22H,1-2H3/b17-14-

> <PUBCHEM_IUPAC_INCHIKEY>
WGYFOULGDSVRPD-VKAVYKQESA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
334.10659032

> <PUBCHEM_MOLECULAR_FORMULA>
C18H14N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
334.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=NC(=C2C=C3C(=NC2=O)C=CN=C3C4=CC(=CC=C4)OC)NO1

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=N/C(=C/2\C=C3C(=NC2=O)C=CN=C3C4=CC(=CC=C4)OC)/NO1

> <PUBCHEM_CACTVS_TPSA>
84.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
334.10659032

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
25

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <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>
10  16  8
13  17  8
13  18  8
16  19  8
17  20  8
18  21  8
20  22  8
21  22  8
5  19  8
5  9  8
8  10  8
8  9  8

$$$$