1244933
  -OEChem-05042412432D

 49 52  0     0  0  0  0  0  0999 V2000
    2.0000   -0.7306    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5942   -0.2514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962    1.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1192   -2.3184    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    2.2694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622   -0.2306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    3.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5942    0.7902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882    1.3041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7942   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6882   -0.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5942    0.7941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0909    1.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -1.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7372   -2.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4282   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4282   -3.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0818    1.7831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836    1.7739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2836   -1.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0818   -1.2443    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5966    0.1741    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2142    0.7965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5918    1.4141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6290    1.3502    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3988    2.1963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5528    1.9661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3269   -2.1268    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9316    0.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7287    0.2945    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7926   -3.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0638   -3.7710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.5406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.8894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    1.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 30  1  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  3 17  1  0  0  0  0
  3 21  1  0  0  0  0
  4 18  1  0  0  0  0
  4 23  1  0  0  0  0
  5 24  2  0  0  0  0
  6 16  2  0  0  0  0
  6 17  1  0  0  0  0
  7 19  3  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 15  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 17  2  0  0  0  0
 15 19  1  0  0  0  0
 16 18  1  0  0  0  0
 18 20  2  0  0  0  0
 20 22  1  0  0  0  0
 20 41  1  0  0  0  0
 21 24  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  2  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 46  1  0  0  0  0
 27 29  2  0  0  0  0
 27 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
1244933

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
669

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OAAEAAAAAAAAAAAAAAAAASAAAAA8SIAAAAAAAACx8AAAHgIAAAAADE6hniIyhJIIFEC4B6xyxAaiiCAnJSAImCHmTtgOpvLFt7+POSjmwBHY6Y/a+f+ehAAAAAAAAAAIAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
6-[2-(4-chlorophenyl)-2-oxo-ethoxy]-8-(2-furyl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

> <PUBCHEM_IUPAC_CAS_NAME>
6-[2-(4-chlorophenyl)-2-oxoethoxy]-8-(2-furanyl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

> <PUBCHEM_IUPAC_NAME_MARKUP>
6-[2-(4-chlorophenyl)-2-oxoethoxy]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

> <PUBCHEM_IUPAC_NAME>
6-[2-(4-chlorophenyl)-2-oxoethoxy]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
6-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-8-(furan-2-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
6-[2-(4-chlorophenyl)-2-keto-ethoxy]-8-(2-furyl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C23H19ClN2O4/c1-23(2)10-16-17(11-25)22(29-13-19(27)14-5-7-15(24)8-6-14)26-21(18(16)12-30-23)20-4-3-9-28-20/h3-9H,10,12-13H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
KNDWOFFJXLKMAU-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4

> <PUBCHEM_EXACT_MASS>
422.1033348

> <PUBCHEM_MOLECULAR_FORMULA>
C23H19ClN2O4

> <PUBCHEM_MOLECULAR_WEIGHT>
422.9

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CC2=C(CO1)C(=NC(=C2C#N)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CO4)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CC2=C(CO1)C(=NC(=C2C#N)OCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CO4)C

> <PUBCHEM_CACTVS_TPSA>
85.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
422.1033348

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <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>
10  11  8
10  15  8
11  16  8
15  17  8
18  20  8
20  22  8
22  23  8
25  26  8
25  27  8
26  28  8
27  29  8
28  30  8
29  30  8
4  18  8
4  23  8
6  16  8
6  17  8

$$$$