60189671
  -OEChem-04232402212D

 74 78  0     1  0  0  0  0  0999 V2000
    6.3966    3.6471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    3.1471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.0135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.2671    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    1.9518    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606    1.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626    0.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555   -0.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2626    2.1471    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
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    5.4503    0.3424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8667    1.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2626    3.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8606   -2.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9946    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8606   -3.7671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1397    2.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.0556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0140   -0.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7267    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5927    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4587    2.1471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4771    1.5617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7635   -1.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 64  1  0  0  0  0
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 14 42  1  0  0  0  0
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 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60189671

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
708

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sAAAAAAAAAAAAAAAAABYAWAAAAA8YIAAAAAAAFgB8AAAHgAQCAAADyzhngYzxvPMFgCoAyRiVACCiCAhIiAI2KA+bJiOduLE8ZuUcChu1hvY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-1&apos;-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-<I>N</I>-propylspiro[1,3-dihydropyrido[3,4-b]indole-4,3&apos;-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-1'-(cyclohexylmethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propyl-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C27H40N4O3/c1-4-12-28-26(33)31-18-27(16-30(17-27)14-19-8-6-5-7-9-19)24-21-11-10-20(34-3)13-22(21)29(2)25(24)23(31)15-32/h10-11,13,19,23,32H,4-9,12,14-18H2,1-3H3,(H,28,33)/t23-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RGJGMODALZOVRK-QHCPKHFHSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
468.31004115

> <PUBCHEM_MOLECULAR_FORMULA>
C27H40N4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
468.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNC(=O)N1CC2(CN(C2)CC3CCCCC3)C4=C(C1CO)N(C5=C4C=CC(=C5)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNC(=O)N1CC2(CN(C2)CC3CCCCC3)C4=C([C@@H]1CO)N(C5=C4C=CC(=C5)OC)C

> <PUBCHEM_CACTVS_TPSA>
70

> <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>
11  13  8
11  17  8
15  21  6
17  18  8
17  26  8
18  28  8
26  29  8
28  30  8
29  30  8
6  13  8
6  18  8

$$$$