60193889
  -OEChem-04252408132D

 65 69  0     1  0  0  0  0  0999 V2000
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    8.9946    3.3301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110    0.1965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.0841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1286    1.8301    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.1348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4503    0.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1286   -2.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0430   -0.4266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1397    3.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8353    1.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0000   -0.7151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171    0.0614    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0460   -4.2381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2112   -4.2381    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8732    3.2225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4746    3.9127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4128   -0.9242    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9471    3.6747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4621    1.3552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60193889

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
735

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAGABYAWAAAAA8QAAAAAAAAFgB8AAAHgAACAAADyzhngYyxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLE8ZuUcChmxhnY6AeY0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
1-[(1S)-1'-(2-cyclopropyl-1-oxoethyl)-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]-1-butanone

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-[(1<I>S</I>)-1&apos;-(2-cyclopropylacetyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3&apos;-azetidine]-2-yl]butan-1-one

> <PUBCHEM_IUPAC_NAME>
1-[(1S)-1'-(2-cyclopropylacetyl)-1-(hydroxymethyl)-7-methoxy-9-methylspiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]-2-yl]butan-1-one

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C25H33N3O4/c1-4-5-21(30)28-15-25(13-27(14-25)22(31)10-16-6-7-16)23-18-9-8-17(32-3)11-19(18)26(2)24(23)20(28)12-29/h8-9,11,16,20,29H,4-7,10,12-15H2,1-3H3/t20-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
DXVCLOFFDVHSBD-HXUWFJFHSA-N

> <PUBCHEM_XLOGP3_AA>
1.6

> <PUBCHEM_EXACT_MASS>
439.24710654

> <PUBCHEM_MOLECULAR_FORMULA>
C25H33N3O4

> <PUBCHEM_MOLECULAR_WEIGHT>
439.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC(=O)N1CC2(CN(C2)C(=O)CC3CC3)C4=C(C1CO)N(C5=C4C=CC(=C5)OC)C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC(=O)N1CC2(CN(C2)C(=O)CC3CC3)C4=C([C@H]1CO)N(C5=C4C=CC(=C5)OC)C

> <PUBCHEM_CACTVS_TPSA>
75

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
439.24710654

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
32

> <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  16  8
14  22  5
16  21  8
16  24  8
21  26  8
24  28  8
26  29  8
28  29  8
7  13  8
7  21  8

$$$$