60193609
  -OEChem-05062403582D

 67 71  0     1  0  0  0  0  0999 V2000
    6.3966   -3.3770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    3.6230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.1230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.0106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.8770    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.9277    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -1.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.1230    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1286   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   -4.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1286   -3.3770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    0.3183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.6337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.0893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.6230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.9222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4587    2.1230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    0.2056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.4846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.2056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.0404    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -1.9596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -1.9596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -1.2693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2891   -2.7781    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1537   -4.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1036   -4.6415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7112   -3.5890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2363   -2.7664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577    2.5171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.0154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    3.7056    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.1314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    1.5376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.3161    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.0030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    4.2430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1252    2.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3281    2.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1942    1.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9912    1.1481    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.6673    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -1.4874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.1770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7687    1.5861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9957    2.4330    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1487    2.6599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  2  0  0  0  0
  2 24  1  0  0  0  0
  2 57  1  0  0  0  0
  3 25  2  0  0  0  0
  4 29  1  0  0  0  0
  4 32  1  0  0  0  0
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  5 22  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
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  7 16  1  0  0  0  0
  7 23  1  0  0  0  0
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  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
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 11 15  1  0  0  0  0
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 12 39  1  0  0  0  0
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 13 21  1  0  0  0  0
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 14 41  1  0  0  0  0
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 15 43  1  0  0  0  0
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 17 24  1  6  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 22  1  0  0  0  0
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 23 27  1  0  0  0  0
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 26 53  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 55  1  0  0  0  0
 30 31  1  0  0  0  0
 30 58  1  0  0  0  0
 30 59  1  0  0  0  0
 31 33  1  0  0  0  0
 31 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
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 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60193609

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
736

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAGAAAAWAAAAA8WIAAAAAAAFgB8AAAHgAQCAAADyzhngYzxvPJlgCoAyVyVACCiCAhIiAImaE+bJiOdvLEsZuUcChu1hvY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-1'-(cyclopropanecarbonyl)-1-(hydroxymethyl)-7-methoxy-N-propyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-1'-[cyclopropyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-1&apos;-(cyclopropanecarbonyl)-1-(hydroxymethyl)-7-methoxy-<I>N</I>-propylspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-1'-(cyclopropanecarbonyl)-1-(hydroxymethyl)-7-methoxy-N-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-1'-cyclopropylcarbonyl-1-(hydroxymethyl)-7-methoxy-N-propyl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-1'-(cyclopropanecarbonyl)-7-methoxy-1-methylol-N-propyl-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H34N4O4/c1-3-10-26-24(32)29-15-25(8-11-28(12-9-25)23(31)16-4-5-16)21-18-7-6-17(33-2)13-19(18)27-22(21)20(29)14-30/h6-7,13,16,20,27,30H,3-5,8-12,14-15H2,1-2H3,(H,26,32)/t20-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NYOCRFDBSLJLFP-FQEVSTJZSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
454.25800558

> <PUBCHEM_MOLECULAR_FORMULA>
C25H34N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
454.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNC(=O)N1CC2(CCN(CC2)C(=O)C3CC3)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNC(=O)N1CC2(CCN(CC2)C(=O)C3CC3)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_CACTVS_TPSA>
97.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
454.25800558

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
33

> <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>
13  16  8
13  21  8
17  24  6
21  23  8
21  26  8
23  27  8
26  28  8
27  29  8
28  29  8
7  16  8
7  23  8

$$$$