67250150
  -OEChem-04252409402D

 39 42  0     0  0  0  0  0  0999 V2000
    2.4049    1.4613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0321   -0.0503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -0.6766    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274   -0.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    0.2745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -1.4613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    0.5067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547   -0.2619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -1.2526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7040   -0.7908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814   -0.5791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3534   -1.3197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9867    0.3731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3307   -1.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9641    0.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6361   -0.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1160   -2.0385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8724   -1.7831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081   -1.3405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -1.8723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    0.2286    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518   -0.5516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.4823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -2.0487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.0986    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -1.7149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1795   -1.1214    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9385   -1.3648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1641   -1.9101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5701    0.8322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7473   -1.5672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1534    1.1752    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2420   -0.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 14  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 11 29  1  0  0  0  0
 12 15  2  0  0  0  0
 12 30  1  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67250150

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
404

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB8AAAHgAAAAAADAzhngY8xrMMHACoA7R3RACCiCA1IiAI2CE+bNgMJvrEtZuGOajmwBnI6cecyfCeAAAAAAAAAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
8-benzyloxy-3,4-dihydro-2H-pyrido[1,2-a]indol-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
8-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]indol-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
8-phenylmethoxy-3,4-dihydro-2<I>H</I>-pyrido[1,2-a]indol-1-one

> <PUBCHEM_IUPAC_NAME>
8-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]indol-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
8-phenylmethoxy-3,4-dihydro-2H-pyrido[1,2-a]indol-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
8-benzoxy-3,4-dihydro-2H-pyrid[1,2-a]indol-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H17NO2/c21-19-8-4-7-18-17(19)12-15-11-16(9-10-20(15)18)22-13-14-5-2-1-3-6-14/h1-3,5-6,9-12H,4,7-8,13H2

> <PUBCHEM_IUPAC_INCHIKEY>
NLVWCTKXTWNDFJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.1

> <PUBCHEM_EXACT_MASS>
291.125928785

> <PUBCHEM_MOLECULAR_FORMULA>
C19H17NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
291.3

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=C(C=C3N2C=CC(=C3)OCC4=CC=CC=C4)C(=O)C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=C(C=C3N2C=CC(=C3)OCC4=CC=CC=C4)C(=O)C1

> <PUBCHEM_CACTVS_TPSA>
30.7

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
291.125928785

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <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>
12  15  8
13  14  8
14  15  8
17  18  8
17  19  8
18  20  8
19  21  8
20  22  8
21  22  8
3  12  8
3  4  8
3  9  8
4  6  8
6  11  8
9  11  8
9  13  8

$$$$