60193993
  -OEChem-04242415302D

 76 80  0     1  0  0  0  0  0999 V2000
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    2.4110    0.3064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    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
    9.8606    1.9400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60193993

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
792

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB8AAAHgAQCAAADyzhngYzxvPJlgCoAyVyVACCiCAhIiAImaE+bJiOdvLEsZuUcChu1hvY6AeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(1R)-1'-(cyclohexanecarbonyl)-1-(hydroxymethyl)-N-isopropyl-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-1'-[cyclohexyl(oxo)methyl]-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>R</I>)-1&apos;-(cyclohexanecarbonyl)-1-(hydroxymethyl)-7-methoxy-<I>N</I>-propan-2-ylspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1R)-1'-(cyclohexanecarbonyl)-1-(hydroxymethyl)-7-methoxy-N-propan-2-ylspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1R)-1'-cyclohexylcarbonyl-1-(hydroxymethyl)-7-methoxy-N-propan-2-yl-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(1R)-1'-(cyclohexanecarbonyl)-N-isopropyl-7-methoxy-1-methylol-spiro[3,9-dihydro-1H-beta-carboline-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H40N4O4/c1-18(2)29-27(35)32-17-28(11-13-31(14-12-28)26(34)19-7-5-4-6-8-19)24-21-10-9-20(36-3)15-22(21)30-25(24)23(32)16-33/h9-10,15,18-19,23,30,33H,4-8,11-14,16-17H2,1-3H3,(H,29,35)/t23-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
CJFGUFWORRCVJW-QHCPKHFHSA-N

> <PUBCHEM_XLOGP3_AA>
3.2

> <PUBCHEM_EXACT_MASS>
496.30495577

> <PUBCHEM_MOLECULAR_FORMULA>
C28H40N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
496.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)NC(=O)N1CC2(CCN(CC2)C(=O)C3CCCCC3)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)NC(=O)N1CC2(CCN(CC2)C(=O)C3CCCCC3)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_CACTVS_TPSA>
97.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
496.30495577

> <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>
13  16  8
13  18  8
17  22  6
18  19  8
18  26  8
19  29  8
26  31  8
29  32  8
31  32  8
7  16  8
7  19  8

$$$$