70041623
  -OEChem-05102419212D

 43 46  0     1  0  0  0  0  0999 V2000
    6.9436   -1.5950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3086    0.1372    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3127   -1.5220    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6031   -0.4389    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2812    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9841    1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9996    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3086    0.1372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6236   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9368   -1.1846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    1.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6176    1.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9579   -0.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9935   -0.6476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6330    1.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916   -1.7262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0140   -0.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3359    0.5518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452   -0.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6043   -2.6760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6663    0.1736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7981   -1.0274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9020    1.0423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7330    0.2621    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2238    1.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4618    1.6544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7068   -1.7603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639   -1.5111    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4286    2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8086    3.2960    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1886    2.6760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7951   -1.2350    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8178    1.9123    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4271   -0.9012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9419    0.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583    0.4318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0154   -2.8699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7982   -3.2649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1932   -2.4822    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4724    0.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3931   -0.4456    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 17  1  0  0  0  0
  3 23  2  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
 10 13  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 16  1  0  0  0  0
 13 17  2  0  0  0  0
 13 20  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 18  2  0  0  0  0
 15 34  1  0  0  0  0
 16 19  2  0  0  0  0
 16 35  1  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70041623

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
451

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

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

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

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H20N2O/c1-13-17-9-8-16(12-15-6-5-10-21-14(15)2)20(23)19(17)22-11-4-3-7-18(13)22/h3-7,10-11,16H,8-9,12H2,1-2H3

> <PUBCHEM_IUPAC_INCHIKEY>
PLFRYRCFVKCBOJ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.6

> <PUBCHEM_EXACT_MASS>
304.157563266

> <PUBCHEM_MOLECULAR_FORMULA>
C20H20N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
304.4

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

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

> <PUBCHEM_CACTVS_TPSA>
34.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
304.157563266

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
11  12  8
12  16  8
13  17  8
13  20  8
15  18  8
16  19  8
18  19  8
2  12  8
2  15  8
2  8  8
20  22  8
22  23  8
3  17  8
3  23  8
4  10  3
7  11  8
7  8  8

$$$$