60192432
  -OEChem-04162400282D

 71 75  0     1  0  0  0  0  0999 V2000
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M  END
> <PUBCHEM_COMPOUND_CID>
60192432

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
740

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB7sQAAAAAAAAAAAAAAAAAAAWAAAAA8eIEAAAAAAFgB9AAAHwAQCAAADizhng4zxvPJlgCoAyRiVACCiCAhIiAImaA+bJiOduLEsZuUcChu1hvY6AeQ0PMPoAAAAgACAABAAAAEAAQAAAAAAAAAAA==

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

> <PUBCHEM_IUPAC_CAS_NAME>
(1R)-1'-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-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;-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-<I>N</I>-propylspiro[3,9-dihydro-1<I>H</I>-pyrido[3,4-b]indole-4,4&apos;-piperidine]-2-carboxamide

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

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

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

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C28H35FN4O3/c1-3-12-30-27(35)33-18-28(10-13-32(14-11-28)16-19-4-6-20(29)7-5-19)25-22-9-8-21(36-2)15-23(22)31-26(25)24(33)17-34/h4-9,15,24,31,34H,3,10-14,16-18H2,1-2H3,(H,30,35)/t24-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
RVYCPURVOYUNCE-DEOSSOPVSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
494.26931915

> <PUBCHEM_MOLECULAR_FORMULA>
C28H35FN4O3

> <PUBCHEM_MOLECULAR_WEIGHT>
494.6

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCNC(=O)N1CC2(CCN(CC2)CC3=CC=C(C=C3)F)C4=C(C1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCNC(=O)N1CC2(CCN(CC2)CC3=CC=C(C=C3)F)C4=C([C@@H]1CO)NC5=C4C=CC(=C5)OC

> <PUBCHEM_CACTVS_TPSA>
80.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
494.26931915

> <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  14  8
13  18  8
15  20  6
18  19  8
18  23  8
19  24  8
23  26  8
24  27  8
25  29  8
25  30  8
26  27  8
29  32  8
30  33  8
32  34  8
33  34  8
7  14  8
7  19  8

$$$$