70043666
  -OEChem-05092403512D

 40 43  0     1  0  0  0  0  0999 V2000
    6.9436   -2.0699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3086   -0.3378    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -1.9969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6031   -0.9138    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2812    0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9996    0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3086   -0.3378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6236   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368   -1.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6176    0.6133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579   -1.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9935   -1.1225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6330    0.8455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0140   -0.9138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3359    0.0769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452   -0.5055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916   -2.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9964   -0.7861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020    0.5674    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330   -0.2128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2238    1.4174    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4618    1.1795    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068   -2.2352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639   -1.9860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4286    2.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    2.8211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1886    2.2011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7951   -1.7099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8178    1.4374    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271   -1.3761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9419    0.2081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583   -0.0432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855   -2.7900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    0.2875    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.9205    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  8  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3 20  1  0  0  0  0
  3 22  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 16  1  0  0  0  0
 13 19  1  0  0  0  0
 13 20  2  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 17  2  0  0  0  0
 15 33  1  0  0  0  0
 16 18  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70043666

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
424

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAA8WIAAAAAAAFgB+AAAHgAAAAAADQzBngQ+wLMMGACoA7R3RACCgCA3AiAI2CG4ZNgIIPLAlbGEIQhggADIyQcYicCegAAAAAAAAACAAACAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
10-methyl-3-(3-pyridylmethyl)-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
10-methyl-3-(3-pyridinylmethyl)-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
10-methyl-3-(pyridin-3-ylmethyl)-2,3-dihydro-1<I>H</I>-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_NAME>
10-methyl-3-(pyridin-3-ylmethyl)-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
10-methyl-3-(pyridin-3-ylmethyl)-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
10-methyl-3-(3-pyridylmethyl)-2,3-dihydro-1H-pyrid[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H18N2O/c1-13-16-8-7-15(11-14-5-4-9-20-12-14)19(22)18(16)21-10-3-2-6-17(13)21/h2-6,9-10,12,15H,7-8,11H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
FGVLHFXPULNDNN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.2

> <PUBCHEM_EXACT_MASS>
290.141913202

> <PUBCHEM_MOLECULAR_FORMULA>
C19H18N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
290.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C2C=CC=CN2C3=C1CCC(C3=O)CC4=CN=CC=C4

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C2C=CC=CN2C3=C1CCC(C3=O)CC4=CN=CC=C4

> <PUBCHEM_CACTVS_TPSA>
34.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
290.141913202

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
22

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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  12  8
12  16  8
13  19  8
13  20  8
15  17  8
16  18  8
17  18  8
19  21  8
2  12  8
2  15  8
2  8  8
21  22  8
3  20  8
3  22  8
4  11  3
7  10  8
7  8  8

$$$$