60187022
  -OEChem-04252403432D

 73 78  0     1  0  0  0  0  0999 V2000
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    8.1286    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2626   -1.5600    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4503    2.2447    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60187022

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
835

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7OAAAAAAAAAAAAAAAGAAAAWAAAAA8WJEAAAAAAFgB8AAAHgAACAAADyzhngYyxvMMFgCoAyVyVACCiCAhIiAI2CE+bJgOdvLEsZuWcChmxhnY6Aey0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(tetrahydropyran-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

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

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

> <PUBCHEM_IUPAC_NAME>
cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(oxane-4-carbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyclopropyl-[(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-(oxan-4-ylcarbonyl)spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyclopropyl-[(1S)-7-methoxy-9-methyl-1-methylol-1'-(tetrahydropyran-4-carbonyl)spiro[1,3-dihydro-beta-carboline-4,4'-piperidine]-2-yl]methanone

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H37N3O5/c1-29-22-15-20(35-2)5-6-21(22)24-25(29)23(16-32)31(27(34)18-3-4-18)17-28(24)9-11-30(12-10-28)26(33)19-7-13-36-14-8-19/h5-6,15,18-19,23,32H,3-4,7-14,16-17H2,1-2H3/t23-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
LVIJRTQOHOJFKX-HSZRJFAPSA-N

> <PUBCHEM_XLOGP3_AA>
1.2

> <PUBCHEM_EXACT_MASS>
495.27332129

> <PUBCHEM_MOLECULAR_FORMULA>
C28H37N3O5

> <PUBCHEM_MOLECULAR_WEIGHT>
495.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1C(N(CC34CCN(CC4)C(=O)C5CCOCC5)C(=O)C6CC6)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CCN(CC4)C(=O)C5CCOCC5)C(=O)C6CC6)CO

> <PUBCHEM_CACTVS_TPSA>
84.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
495.27332129

> <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>
11  15  8
11  20  8
14  24  5
20  23  8
20  26  8
23  29  8
26  32  8
29  33  8
32  33  8
8  15  8
8  23  8

$$$$