60194056
  -OEChem-05082415062D

 71 75  0     1  0  0  0  0  0999 V2000
    6.3966    3.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -3.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.9947    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    2.1900    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1286   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    0.3853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430   -0.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    2.9452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.6820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.1562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -3.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4587    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4587    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392    0.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -0.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406    0.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845    0.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -0.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7995    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -1.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.2023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1845   -1.8926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -1.0644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7290    3.1379    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9471    3.5346    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5504    2.7526    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4771    1.6046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4621    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2592    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.2491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7392   -3.4177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3406   -2.7274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3966    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5086   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286   -4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7486   -4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1897    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4348   -0.6004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -1.4204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5652   -1.1100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    4.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9957    1.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9957    3.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 60  1  0  0  0  0
  2 20  2  0  0  0  0
  3 23  2  0  0  0  0
  4 27  1  0  0  0  0
  4 33  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  1  0  0  0  0
  5 20  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 23  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 13  2  0  0  0  0
  9 17  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 15  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 16  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 14 19  1  1  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 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 24  1  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 25  1  0  0  0  0
 21 26  2  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 28  1  0  0  0  0
 24 27  2  0  0  0  0
 24 54  1  0  0  0  0
 25 29  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 27  1  0  0  0  0
 26 57  1  0  0  0  0
 28 30  1  0  0  0  0
 28 58  1  0  0  0  0
 28 59  1  0  0  0  0
 29 31  2  0  0  0  0
 29 32  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
 31 34  1  0  0  0  0
 31 64  1  0  0  0  0
 32 35  2  0  0  0  0
 32 65  1  0  0  0  0
 33 66  1  0  0  0  0
 33 67  1  0  0  0  0
 33 68  1  0  0  0  0
 34 36  2  0  0  0  0
 34 69  1  0  0  0  0
 35 36  1  0  0  0  0
 35 70  1  0  0  0  0
 36 71  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60194056

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
791

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
5

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB9AAAHgAACAAADizhngYyxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLEtZuUcChmxhnY6AeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-phenylacetyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]propan-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(1-oxo-2-phenylethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]-1-propanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(1<I>S</I>)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-phenylacetyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4&apos;-piperidine]-1&apos;-yl]propan-1-one

> <PUBCHEM_IUPAC_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-phenylacetyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]propan-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-(2-phenylethanoyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-1'-yl]propan-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-[(1S)-7-methoxy-9-methyl-1-methylol-2-(2-phenylacetyl)spiro[1,3-dihydro-beta-carboline-4,4'-piperidine]-1'-yl]propan-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C29H35N3O4/c1-4-25(34)31-14-12-29(13-15-31)19-32(26(35)16-20-8-6-5-7-9-20)24(18-33)28-27(29)22-11-10-21(36-3)17-23(22)30(28)2/h5-11,17,24,33H,4,12-16,18-19H2,1-3H3/t24-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BPKYTOXEFAPOSD-XMMPIXPASA-N

> <PUBCHEM_XLOGP3_AA>
2.5

> <PUBCHEM_EXACT_MASS>
489.26275661

> <PUBCHEM_MOLECULAR_FORMULA>
C29H35N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
489.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)N1CCC2(CC1)CN(C(C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)CC5=CC=CC=C5

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)N1CCC2(CC1)CN([C@@H](C3=C2C4=C(N3C)C=C(C=C4)OC)CO)C(=O)CC5=CC=CC=C5

> <PUBCHEM_CACTVS_TPSA>
75

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
489.26275661

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
14  19  5
17  18  8
17  21  8
18  24  8
21  26  8
24  27  8
26  27  8
29  31  8
29  32  8
31  34  8
32  35  8
34  36  8
35  36  8
7  13  8
7  18  8
9  13  8
9  17  8

$$$$