
 UNII-73663SY1DT

 62 66  0  0  0  0  0  0  0  0999 V2000
    7.1993   -1.7936   -3.5843 C   0  0  0  0  0
    6.3295   -0.8370   -2.9760 O   0  0  0  0  0
    6.3884    0.4131   -3.5192 C   0  0  0  0  0
    7.1038    0.7353   -4.4595 O   0  0  0  0  0
    5.3601    1.3158   -2.8455 C   0  0  0  0  0
    5.6285    2.7456   -2.8563 N   0  0  0  0  0
    6.2129    3.4172   -3.9795 C   0  0  0  0  0
    5.9432    4.8404   -3.7597 N   0  0  0  0  0
    5.3482    5.0447   -2.4007 C   0  0  0  0  0
    4.9400    3.6077   -2.0241 C   0  0  0  0  0
    4.1728    3.2543   -1.1407 O   0  0  0  0  0
    4.0829    5.9036   -2.4199 C   0  0  0  0  0
    3.6158    6.2978   -1.0120 C   0  0  0  0  0
    4.6730    6.6815   -0.0643 N   0  0  0  0  0
    6.0049    6.7687   -0.6542 C   0  0  0  0  0
    6.4033    5.4901   -1.3810 C   0  0  0  0  0
    4.2858    7.8872    0.6968 C   0  0  0  0  0
    5.2892    8.3013    1.7636 C   0  0  0  0  0
    5.2534    7.6090    2.9885 C   0  0  0  0  0
    6.1843    7.8757    3.9855 C   0  0  0  0  0
    7.1810    8.8217    3.7653 C   0  0  0  0  0
    7.2581    9.5225    2.5536 C   0  0  0  0  0
    8.2997   10.4422    2.3414 C   0  0  0  0  0
    8.4136   11.1397    1.1406 C   0  0  0  0  0
    7.4764   10.9377    0.1391 C   0  0  0  0  0
    6.4324   10.0310    0.3374 C   0  0  0  0  0
    6.2993    9.2867    1.5356 C   0  0  0  0  0
    6.5465    5.7765   -4.5834 C   0  0  0  0  0
    6.5949    7.1460   -4.2846 C   0  0  0  0  0
    7.2122    8.0895   -5.1225 C   0  0  0  0  0
    7.8017    7.6859   -6.3094 C   0  0  0  0  0
    7.7643    6.3417   -6.6547 C   0  0  0  0  0
    7.1431    5.4132   -5.8060 C   0  0  0  0  0
    8.2159   -1.4016   -3.6886 H   0  0  0  0  0
    6.7967   -2.0910   -4.5568 H   0  0  0  0  0
    7.2363   -2.6749   -2.9382 H   0  0  0  0  0
    5.2593    1.0110   -1.7976 H   0  0  0  0  0
    4.3956    1.1544   -3.3392 H   0  0  0  0  0
    7.2879    3.2084   -3.9865 H   0  0  0  0  0
    5.7253    3.0650   -4.8940 H   0  0  0  0  0
    4.2298    6.8234   -2.9934 H   0  0  0  0  0
    3.2658    5.3767   -2.9314 H   0  0  0  0  0
    2.8813    7.1052   -1.1388 H   0  0  0  0  0
    3.0552    5.4692   -0.5640 H   0  0  0  0  0
    6.7629    6.9137    0.1231 H   0  0  0  0  0
    6.0701    7.6305   -1.3229 H   0  0  0  0  0
    7.3819    5.6464   -1.8511 H   0  0  0  0  0
    6.5709    4.7090   -0.6260 H   0  0  0  0  0
    3.3334    7.6868    1.2081 H   0  0  0  0  0
    4.0695    8.7245    0.0247 H   0  0  0  0  0
    4.5030    6.8383    3.1547 H   0  0  0  0  0
    6.1467    7.3310    4.9249 H   0  0  0  0  0
    7.9124    8.9996    4.5509 H   0  0  0  0  0
    9.0453   10.6137    3.1153 H   0  0  0  0  0
    9.2331   11.8363    0.9901 H   0  0  0  0  0
    7.5556   11.4774   -0.8012 H   0  0  0  0  0
    5.7289    9.9047   -0.4802 H   0  0  0  0  0
    6.1566    7.5387   -3.3802 H   0  0  0  0  0
    7.2245    9.1371   -4.8349 H   0  0  0  0  0
    8.2813    8.4110   -6.9604 H   0  0  0  0  0
    8.2151    6.0093   -7.5847 H   0  0  0  0  0
    7.1421    4.3813   -6.1464 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 37  1  0  0  0
  5 38  1  0  0  0
  6  7  1  0  0  0
  6 10  1  0  0  0
  7  8  1  0  0  0
  7 39  1  0  0  0
  7 40  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 12  1  0  0  0
  9 16  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 12 42  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  1  0  0  0
 15 45  1  0  0  0
 15 46  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  2  0  0  0
 18 27  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 20 21  2  0  0  0
 20 52  1  0  0  0
 21 22  1  0  0  0
 21 53  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 24 25  2  0  0  0
 24 55  1  0  0  0
 25 26  1  0  0  0
 25 56  1  0  0  0
 26 27  2  0  0  0
 26 57  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 58  1  0  0  0
 30 31  2  0  0  0
 30 59  1  0  0  0
 31 32  1  0  0  0
 31 60  1  0  0  0
 32 33  2  0  0  0
 32 61  1  0  0  0
 33 62  1  0  0  0
M  END

>  <Chemical Name>
UNII-73663SY1DT

>  <PubChem CID>
9803475

>  <Formula>
C27H29N3O3

>  <Molecular Weight>
443.547000

>  <IUPAC Name>
methyl 2-[8-(naphthalen-1-ylmethyl)-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-3-yl]acetate

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

>  <Isomeric SMILES>
COC(=O)CN1CN(C2(C1=O)CCN(CC2)CC3=CC=CC4=CC=CC=C43)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C27H29N3O3/c1-33-25(31)19-29-20-30(23-11-3-2-4-12-23)27(26(29)32)14-16-28(17-15-27)18-22-10-7-9-21-8-5-6-13-24(21)22/h2-13H,14-20H2,1H3

>  <InChI Key>
AQMPIDSGLFVVPL-UHFFFAOYSA-N

