71433902
  -OEChem-05082405202D

 76 81  0     1  0  0  0  0  0999 V2000
    3.6613   -0.5226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594   -3.0226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    0.9774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934   -0.5226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1254   -1.5226    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274   -4.5524    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.9774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    2.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    2.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    3.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6613    1.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934    1.4774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    3.5652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8575   -1.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    4.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7235   -2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8575   -0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    4.5163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5895   -1.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7235   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5895   -0.5226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    3.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9915   -2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -0.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424    5.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3934   -1.5226    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    4.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219    5.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594   -2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -2.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274   -3.0226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7226   -3.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3321   -3.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0333   -4.5567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7441   -3.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3654   -5.3010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0763   -4.1443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3869   -5.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508    2.3698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040    2.3698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054    3.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0508    1.5851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493    0.8948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6054    0.8948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0040    1.5851    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9260    3.3736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3206   -1.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250   -2.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1220   -2.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2469   -0.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3918    5.0179    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8016   -2.1052    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001   -1.4149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1220    0.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3250    0.4524    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001   -0.6302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8016    0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5182    2.7411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929   -2.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3900   -2.4975    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5408    5.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9303   -1.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9303   -0.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1254   -0.9026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3940    3.9704    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    5.5546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3153   -1.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9168   -2.1302    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9214   -3.4136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3935   -5.0527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5515   -2.8106    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581   -5.8903    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4696   -4.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9729   -5.5562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 24  2  0  0  0  0
  2 29  2  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 24  1  0  0  0  0
  4 24  1  0  0  0  0
  4 26  1  0  0  0  0
  4 65  1  0  0  0  0
  5 23  1  0  0  0  0
  5 29  1  0  0  0  0
  5 66  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 72  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 39  1  0  0  0  0
  8 40  1  0  0  0  0
  9 12  1  0  0  0  0
  9 41  1  0  0  0  0
  9 42  1  0  0  0  0
 10 15  1  0  0  0  0
 10 22  2  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 12 45  1  0  0  0  0
 12 46  1  0  0  0  0
 13 18  2  0  0  0  0
 13 47  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 14 23  1  0  0  0  0
 14 48  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  2  0  0  0  0
 16 19  1  0  0  0  0
 16 49  1  0  0  0  0
 16 50  1  0  0  0  0
 17 20  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 21  1  0  0  0  0
 19 54  1  0  0  0  0
 19 55  1  0  0  0  0
 20 21  1  0  0  0  0
 20 56  1  0  0  0  0
 20 57  1  0  0  0  0
 21 58  1  0  0  0  0
 21 59  1  0  0  0  0
 22 27  1  0  0  0  0
 22 60  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 25 28  1  0  0  0  0
 25 63  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 26 64  1  0  0  0  0
 27 28  2  0  0  0  0
 27 67  1  0  0  0  0
 28 68  1  0  0  0  0
 30 31  1  0  0  0  0
 30 69  1  0  0  0  0
 30 70  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 32 34  1  0  0  0  0
 32 35  2  0  0  0  0
 33 71  1  0  0  0  0
 34 36  2  0  0  0  0
 35 37  1  0  0  0  0
 35 73  1  0  0  0  0
 36 38  1  0  0  0  0
 36 74  1  0  0  0  0
 37 38  2  0  0  0  0
 37 75  1  0  0  0  0
 38 76  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71433902

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
860

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB/sAAAAAAAAAAAAAAAAAAAAWIAAAA8YMEAAAAAAFgB9AAAHgAQAAAADyjBngQ9wPPJkACoAzV3VACCgCAxAiAI2aG4ZJiIYPLAkbGUIAholgLIyAcYicCPgAAAAAASAAAAAAAAACQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(cyclohexylmethylamino)-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(cyclohexylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1'-spiro[indene-1,4'-piperidine]carboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(cyclohexylmethylamino)-3-(1<I>H</I>-indol-3-yl)-1-oxopropan-2-yl]spiro[indene-1,4&apos;-piperidine]-1&apos;-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(cyclohexylmethylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(cyclohexylmethylamino)-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(cyclohexylmethylamino)-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]spiro[indene-1,4'-piperidine]-1'-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C32H38N4O2/c37-30(34-21-23-8-2-1-3-9-23)29(20-25-22-33-28-13-7-5-11-26(25)28)35-31(38)36-18-16-32(17-19-36)15-14-24-10-4-6-12-27(24)32/h4-7,10-15,22-23,29,33H,1-3,8-9,16-21H2,(H,34,37)(H,35,38)

> <PUBCHEM_IUPAC_INCHIKEY>
WFWVVMRHWGMKHR-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
6.2

> <PUBCHEM_EXACT_MASS>
510.29947647

> <PUBCHEM_MOLECULAR_FORMULA>
C32H38N4O2

> <PUBCHEM_MOLECULAR_WEIGHT>
510.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(CC1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)C=CC6=CC=CC=C56

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(CC1)CNC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)N4CCC5(CC4)C=CC6=CC=CC=C56

> <PUBCHEM_CACTVS_TPSA>
77.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
510.29947647

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
38

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  15  8
10  22  8
15  25  8
22  27  8
25  28  8
26  30  3
27  28  8
31  32  8
31  33  8
32  34  8
32  35  8
34  36  8
35  37  8
36  38  8
37  38  8
6  33  8
6  34  8

$$$$