60193621
  -OEChem-05042416332D

 63 67  0     1  0  0  0  0  0999 V2000
    8.9946    2.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    2.9400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.6936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -1.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    1.4400    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3966    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -2.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503   -0.3647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    0.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    0.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9652   -0.0545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7742    1.3467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9433   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4433    0.6036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -3.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -1.3167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -1.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060   -0.5938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -0.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.0477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -1.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -0.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -0.4774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.1677    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    1.7500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -1.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -2.6426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8931    1.5592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577    1.8340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    2.3323    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    3.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3452   -0.0545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9004   -0.6711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758    1.7112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4642    1.8837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7517   -0.8521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5097   -0.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9449    0.2392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8582    1.0643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6426   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -4.1800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8826   -3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.8144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    0.8546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.9991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    3.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -1.3504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -2.1704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.8600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 20  1  0  0  0  0
  2 60  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  4 18  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 25  1  0  0  0  0
  6 13  1  0  0  0  0
  6 19  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  2  0  0  0  0
  9 16  1  0  0  0  0
 10 14  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 15  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  1  6  0  0  0
 12 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 22  1  0  0  0  0
 17 42  1  0  0  0  0
 19 27  1  0  0  0  0
 20 44  1  0  0  0  0
 20 45  1  0  0  0  0
 21 23  1  0  0  0  0
 21 46  1  0  0  0  0
 21 47  1  0  0  0  0
 22 24  1  0  0  0  0
 22 48  1  0  0  0  0
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 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
 24 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 28  2  0  0  0  0
 26 57  1  0  0  0  0
 27 29  2  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
 28 59  1  0  0  0  0
 30 61  1  0  0  0  0
 30 62  1  0  0  0  0
 30 63  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193621

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
629

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7MAAAAAAAAAAAAAAAAAAAAeIAAAA8WIAAAAAAAFgB8AAAHgAQCAAADyzhngYyxvPJlgCoAyVyVACCiCAhIiAImSE+bJgOdvLEsZuUcChm1hnY6AeY2PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_CAS_NAME>
cyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyclopentyl-[(1<I>R</I>)-1-(hydroxymethyl)-7-methoxy-1&apos;-methylspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_NAME>
cyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopentyl-[(1R)-1-(hydroxymethyl)-7-methoxy-1'-methyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopentyl-[(1R)-7-methoxy-1'-methyl-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C24H33N3O3/c1-26-11-9-24(10-12-26)15-27(23(29)16-5-3-4-6-16)20(14-28)22-21(24)18-8-7-17(30-2)13-19(18)25-22/h7-8,13,16,20,25,28H,3-6,9-12,14-15H2,1-2H3/t20-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
HQBIJUKVDPDUEB-FQEVSTJZSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
411.25219192

> <PUBCHEM_MOLECULAR_FORMULA>
C24H33N3O3

> <PUBCHEM_MOLECULAR_WEIGHT>
411.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCC2(CC1)CN(C(C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5CCCC5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCC2(CC1)CN([C@H](C3=C2C4=C(N3)C=C(C=C4)OC)CO)C(=O)C5CCCC5

> <PUBCHEM_CACTVS_TPSA>
68.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
411.25219192

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
30

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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  20  6
16  19  8
16  26  8
19  27  8
26  28  8
27  29  8
28  29  8
6  13  8
6  19  8
9  13  8
9  16  8

$$$$