60187185
  -OEChem-05082404192D

 71 76  0     1  0  0  0  0  0999 V2000
    7.2626   -4.5600    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
60187185

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
941

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uYAAAAAAAAAAAAAAAAAAAWAAAAA8eMECAAAAAFgB9AAAHwAQCAAADizhng4zxvPJlgCoAyVyVACCiCAlIiAImSE+bNiOdvLEtZuUcShu1hvY6aeY2POPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(1S)-N-(4-fluorophenyl)-1'-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(1<I>S</I>)-1&apos;-(2-fluorobenzoyl)-<I>N</I>-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
(1S)-1'-(2-fluorobenzoyl)-N-(4-fluorophenyl)-1-(hydroxymethyl)-7-methoxyspiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(1S)-N-(4-fluorophenyl)-1'-(2-fluorophenyl)carbonyl-1-(hydroxymethyl)-7-methoxy-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,4'-piperidine]-2-carboxamide

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C31H30F2N4O4/c1-41-21-10-11-23-25(16-21)35-28-26(17-38)37(30(40)34-20-8-6-19(32)7-9-20)18-31(27(23)28)12-14-36(15-13-31)29(39)22-4-2-3-5-24(22)33/h2-11,16,26,35,38H,12-15,17-18H2,1H3,(H,34,40)/t26-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
NJDWAXZNEHTZBD-AREMUKBSSA-N

> <PUBCHEM_XLOGP3_AA>
3.8

> <PUBCHEM_EXACT_MASS>
560.22351178

> <PUBCHEM_MOLECULAR_FORMULA>
C31H30F2N4O4

> <PUBCHEM_MOLECULAR_WEIGHT>
560.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)C(N(CC34CCN(CC4)C(=O)C5=CC=CC=C5F)C(=O)NC6=CC=C(C=C6)F)CO

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C3=C(N2)[C@H](N(CC34CCN(CC4)C(=O)C5=CC=CC=C5F)C(=O)NC6=CC=C(C=C6)F)CO

> <PUBCHEM_CACTVS_TPSA>
97.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
560.22351178

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
41

> <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  16  8
12  20  8
17  22  5
20  21  8
20  24  8
21  26  8
24  27  8
26  28  8
27  28  8
29  31  8
29  32  8
30  33  8
30  34  8
31  35  8
32  36  8
33  39  8
34  40  8
35  38  8
36  38  8
39  41  8
40  41  8
9  16  8
9  21  8

$$$$