
 DABDMA

 49 50  0  0  0  0  0  0  0  0999 V2000
   11.6511    5.3496   -2.4704 C   0  0  0  0  0
   10.2027    5.4525   -2.9372 C   0  0  0  0  0
    9.4760    4.1880   -3.1414 N   0  0  0  0  0
   10.0864    3.3085   -4.1519 C   0  0  0  0  0
   10.1452    3.9261   -5.5453 C   0  0  0  0  0
    9.2490    3.4315   -1.8962 C   0  0  0  0  0
    8.4345    4.1893   -0.9311 C   0  0  0  0  0
    7.7849    4.8534   -0.1684 C   0  0  0  0  0
    7.0173    5.7348    0.7213 C   0  0  0  0  0
    6.0506    6.6297   -0.0372 C   0  0  0  0  0
    4.8586    6.6604    0.2897 O   0  0  0  0  0
    6.6552    7.5693   -1.0968 C   0  0  0  0  0
    5.8645    7.6301   -2.4028 C   0  0  0  0  0
    6.5164    7.3585   -3.6196 C   0  0  0  0  0
    5.8271    7.4144   -4.8332 C   0  0  0  0  0
    4.4756    7.7463   -4.8531 C   0  0  0  0  0
    3.8131    8.0191   -3.6599 C   0  0  0  0  0
    4.5014    7.9613   -2.4455 C   0  0  0  0  0
    6.9916    8.9388   -0.5104 C   0  0  0  0  0
    8.3091    9.4248   -0.5784 C   0  0  0  0  0
    8.6398   10.6713   -0.0422 C   0  0  0  0  0
    7.6590   11.4542    0.5613 C   0  0  0  0  0
    6.3487   10.9893    0.6344 C   0  0  0  0  0
    6.0180    9.7392    0.1075 C   0  0  0  0  0
   12.0548    6.3547   -2.3069 H   0  0  0  0  0
   12.2837    4.8611   -3.2170 H   0  0  0  0  0
   11.7387    4.8058   -1.5257 H   0  0  0  0  0
   10.1742    6.0374   -3.8642 H   0  0  0  0  0
    9.6581    6.0805   -2.2230 H   0  0  0  0  0
    9.4823    2.3964   -4.2420 H   0  0  0  0  0
   11.0895    2.9857   -3.8483 H   0  0  0  0  0
    9.1541    4.2596   -5.8701 H   0  0  0  0  0
   10.5010    3.1824   -6.2663 H   0  0  0  0  0
   10.8322    4.7762   -5.5898 H   0  0  0  0  0
   10.1948    3.1240   -1.4357 H   0  0  0  0  0
    8.6992    2.5093   -2.1259 H   0  0  0  0  0
    7.6864    6.3764    1.3045 H   0  0  0  0  0
    6.4432    5.1302    1.4319 H   0  0  0  0  0
    7.6160    7.1135   -1.3645 H   0  0  0  0  0
    7.5710    7.0918   -3.6356 H   0  0  0  0  0
    6.3468    7.1955   -5.7621 H   0  0  0  0  0
    3.9379    7.7888   -5.7961 H   0  0  0  0  0
    2.7566    8.2738   -3.6693 H   0  0  0  0  0
    3.9503    8.1684   -1.5312 H   0  0  0  0  0
    9.0925    8.8368   -1.0518 H   0  0  0  0  0
    9.6627   11.0343   -0.0998 H   0  0  0  0  0
    7.9139   12.4276    0.9720 H   0  0  0  0  0
    5.5797   11.5998    1.1007 H   0  0  0  0  0
    4.9876    9.3987    0.1863 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
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 30  1  0  0  0
  4 31  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  6  7  1  0  0  0
  6 35  1  0  0  0
  6 36  1  0  0  0
  7  8  3  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 37  1  0  0  0
  9 38  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 19  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 14  2  0  0  0
 13 18  1  0  0  0
 14 15  1  0  0  0
 14 40  1  0  0  0
 15 16  2  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 46  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
 24 49  1  0  0  0
M  END

>  <Chemical Name>
DABDMA

>  <PubChem CID>
57339628

>  <Formula>
C22H25NO

>  <Molecular Weight>
319.448000

>  <IUPAC Name>
6-(diethylamino)-1,1-diphenylhex-4-yn-2-one

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC)CC#CCC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

>  <Isomeric SMILES>
CCN(CC)CC#CCC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C22H25NO/c1-3-23(4-2)18-12-11-17-21(24)22(19-13-7-5-8-14-19)20-15-9-6-10-16-20/h5-10,13-16,22H,3-4,17-18H2,1-2H3

>  <InChI Key>
CHKZTUMZZKNFAZ-UHFFFAOYSA-N

