60193991
  -OEChem-05072414512D

 74 78  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
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    2.4110    0.1576    0.0000 O   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
    8.1286    1.7912    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
   10.7267    2.2912    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
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    4.8667    1.2912    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
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M  END
> <PUBCHEM_COMPOUND_CID>
60193991

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
704

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAAAAAeIAAAA8WIAAAAAAAFgB8AAAHgAQCAAADyzhngYyxvPJlgCoAyVyVACCiCAhIiAImSC+bJgOduLEsbuUcChm1hnY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

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

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

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(1<I>R</I>)-1&apos;-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-yl]-2-(dimethylamino)ethanone

> <PUBCHEM_IUPAC_NAME>
1-[(1R)-1'-(cyclopentylmethyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-yl]-2-(dimethylamino)ethanone

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H40N4O3/c1-29(2)16-24(33)31-18-27(10-12-30(13-11-27)15-19-6-4-5-7-19)25-21-9-8-20(34-3)14-22(21)28-26(25)23(31)17-32/h8-9,14,19,23,28,32H,4-7,10-13,15-18H2,1-3H3/t23-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
OMPAENWFCSGORL-QHCPKHFHSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
468.31004115

> <PUBCHEM_MOLECULAR_FORMULA>
C27H40N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
468.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)CC(=O)N1CC2(CCN(CC2)CC3CCCC3)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)CC(=O)N1CC2(CCN(CC2)CC3CCCC3)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_CACTVS_TPSA>
72

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
468.31004115

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
34

> <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  15  8
12  19  8
16  25  6
19  22  8
19  27  8
22  28  8
27  30  8
28  31  8
30  31  8
6  15  8
6  22  8

$$$$