72678251
  -OEChem-04192403152D

 73 77  0     1  0  0  0  0  0999 V2000
    6.3966    3.7912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -3.2088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.2912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.7912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.7088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.0960    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.7912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -1.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.2912    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4503    0.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2331   -4.2033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0422   -2.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2113   -4.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7113   -3.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.5808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.2575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4587    2.2912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    0.3738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.3164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.3164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.3738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.2086    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.8989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -1.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -1.7914    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -1.1011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1610   -2.5896    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2577    2.6853    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.1836    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    3.8738    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6131   -4.2033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1683   -4.8199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5437   -2.4376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7322   -2.2651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0197   -5.0009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7777   -4.6634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2129   -3.9096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1261   -3.0844    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -0.9632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    1.7058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.1479    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.1712    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    4.4112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1252    2.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3281    2.7662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1942    1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9912    1.3163    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.4991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -1.3192    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.0088    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7687    1.7543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9957    2.6012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1487    2.8282    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0  0  0  0
  1 63  1  0  0  0  0
  2 20  2  0  0  0  0
  3 25  2  0  0  0  0
  4 31  1  0  0  0  0
  4 34  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  5 25  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 20  1  0  0  0  0
  7 16  1  0  0  0  0
  7 21  1  0  0  0  0
  7 48  1  0  0  0  0
  8 25  1  0  0  0  0
  8 32  1  0  0  0  0
  8 62  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 15  1  0  0  0  0
 11 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 16  2  0  0  0  0
 13 18  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 17 22  1  0  0  0  0
 17 46  1  0  0  0  0
 18 21  2  0  0  0  0
 18 28  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 24  1  0  0  0  0
 19 47  1  0  0  0  0
 21 29  1  0  0  0  0
 22 49  1  0  0  0  0
 22 50  1  0  0  0  0
 23 26  1  0  0  0  0
 23 51  1  0  0  0  0
 23 52  1  0  0  0  0
 24 27  1  0  0  0  0
 24 53  1  0  0  0  0
 24 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 57  1  0  0  0  0
 27 58  1  0  0  0  0
 28 30  2  0  0  0  0
 28 59  1  0  0  0  0
 29 31  2  0  0  0  0
 29 60  1  0  0  0  0
 30 31  1  0  0  0  0
 30 61  1  0  0  0  0
 32 33  1  0  0  0  0
 32 64  1  0  0  0  0
 32 65  1  0  0  0  0
 33 35  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 34 68  1  0  0  0  0
 34 69  1  0  0  0  0
 34 70  1  0  0  0  0
 35 71  1  0  0  0  0
 35 72  1  0  0  0  0
 35 73  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
72678251

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
764

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAeIAAAA8WIAAAAAAAFgB8AAAHgAQCAAADyzhngYzxvPJlgCoAyVyVACCiCAhIiAImaE+bJiOdvLEsZuUcChu1hvY6AeY2PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1'-(cyclopentanecarbonyl)-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>
1'-[cyclopentyl(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&apos;-(cyclopentanecarbonyl)-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>
1'-(cyclopentanecarbonyl)-1-(hydroxymethyl)-7-methoxy-N-propylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H38N4O4/c1-3-12-28-26(34)31-17-27(10-13-30(14-11-27)25(33)18-6-4-5-7-18)23-20-9-8-19(35-2)15-21(20)29-24(23)22(31)16-32/h8-9,15,18,22,29,32H,3-7,10-14,16-17H2,1-2H3,(H,28,34)

> <PUBCHEM_IUPAC_INCHIKEY>
NGPFNRQNVCWSJZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.8

> <PUBCHEM_EXACT_MASS>
482.28930571

> <PUBCHEM_MOLECULAR_FORMULA>
C27H38N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
482.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNC(=O)N1CC2(CCN(CC2)C(=O)C3CCCC3)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNC(=O)N1CC2(CCN(CC2)C(=O)C3CCCC3)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_CACTVS_TPSA>
97.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
482.28930571

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
35

> <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>
13  16  8
13  18  8
17  22  3
18  21  8
18  28  8
21  29  8
28  30  8
29  31  8
30  31  8
7  16  8
7  21  8

$$$$