
 CID 56666585

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.5778    1.8858   -1.4482 C   0  0  0  0  0
    2.9680    1.9873   -1.1377 O   0  0  0  0  0
    3.5392    0.8157   -0.7521 C   0  0  0  0  0
    2.9305   -0.2420   -0.6615 O   0  0  0  0  0
    4.8827    0.9615   -0.4438 N   0  0  0  0  0
    5.5530   -0.1394    0.2600 C   0  0  0  0  0
    5.5277    0.1323    1.7739 C   0  0  0  0  0
    6.0241    1.4785    2.0515 N   0  0  0  0  0
    5.4982    2.6014    1.2859 C   0  0  0  0  0
    5.4921    2.2819   -0.2174 C   0  0  0  0  0
    6.5368    3.6659    1.5956 C   0  0  0  0  0
    6.5052    4.8073    1.1551 O   0  0  0  0  0
    7.5295    3.0988    2.3578 N   0  0  0  0  0
    7.3028    1.7508    2.5112 C   0  0  0  0  0
    8.0919    0.9125    2.9193 O   0  0  0  0  0
    8.7482    3.7684    2.6916 C   0  0  0  0  0
    8.7929    4.8013    3.7836 C   0  0  0  0  0
    9.5036    3.4866    3.9796 C   0  0  0  0  0
   11.0115    3.4151    3.9487 C   0  0  0  0  0
   11.6781    2.5169    3.0979 C   0  0  0  0  0
   13.0728    2.4398    3.0677 C   0  0  0  0  0
   13.8319    3.2546    3.9022 C   0  0  0  0  0
   13.1964    4.1406    4.7672 C   0  0  0  0  0
   11.8011    4.2160    4.7895 C   0  0  0  0  0
    1.4183    1.1905   -2.2782 H   0  0  0  0  0
    1.2269    2.8755   -1.7532 H   0  0  0  0  0
    1.0108    1.5752   -0.5650 H   0  0  0  0  0
    6.5868   -0.1786   -0.1035 H   0  0  0  0  0
    5.0778   -1.0994    0.0361 H   0  0  0  0  0
    6.1247   -0.6102    2.3118 H   0  0  0  0  0
    4.4984    0.0923    2.1472 H   0  0  0  0  0
    4.5118    2.8648    1.6775 H   0  0  0  0  0
    4.9782    3.0700   -0.7766 H   0  0  0  0  0
    6.5148    2.2290   -0.6129 H   0  0  0  0  0
    9.3425    3.9892    1.8067 H   0  0  0  0  0
    7.8958    4.9785    4.3658 H   0  0  0  0  0
    9.3770    5.6957    3.5986 H   0  0  0  0  0
    9.0351    2.7974    4.6800 H   0  0  0  0  0
   11.0981    1.8599    2.4518 H   0  0  0  0  0
   13.5623    1.7388    2.3972 H   0  0  0  0  0
   14.9167    3.1934    3.8842 H   0  0  0  0  0
   13.7838    4.7716    5.4287 H   0  0  0  0  0
   11.3205    4.9086    5.4772 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  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 10  1  0  0  0
  6  7  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 33  1  0  0  0
 10 34  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 16 18  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 39  1  0  0  0
 21 22  2  0  0  0
 21 40  1  0  0  0
 22 23  1  0  0  0
 22 41  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
M  END

>  <Chemical Name>
CID 56666585

>  <PubChem CID>
56666585

>  <Formula>
C17H19N3O4

>  <Molecular Weight>
329.356000

>  <IUPAC Name>
methyl 1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxylate

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC(=O)N1CCN2C(C1)C(=O)N(C2=O)C3CC3C4=CC=CC=C4

>  <Isomeric SMILES>
COC(=O)N1CCN2C(C1)C(=O)N(C2=O)[C@H]3C[C@@H]3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C17H19N3O4/c1-24-17(23)18-7-8-19-14(10-18)15(21)20(16(19)22)13-9-12(13)11-5-3-2-4-6-11/h2-6,12-14H,7-10H2,1H3/t12-,13+,14?/m1/s1

>  <InChI Key>
ABSXSBIPMOKZJJ-AMIUJLCOSA-N

