
 D-Lysergic acid N,N-diethylamide

 49 52  0  0  0  0  0  0  0  0999 V2000
    2.6525    0.8103    1.6565 C   0  0  0  0  0
    3.8285    1.6990    1.2683 C   0  0  0  0  0
    4.8983    1.8462    2.2664 N   0  0  0  0  0
    5.2566    0.6664    3.0676 C   0  0  0  0  0
    4.8641    0.8290    4.5282 C   0  0  0  0  0
    5.8436    2.9017    2.2959 C   0  0  0  0  0
    6.8305    2.7936    3.0356 O   0  0  0  0  0
    5.6796    4.2055    1.1646 C   0  0  0  0  0
    7.0701    3.5012   -0.0026 C   0  0  0  0  0
    8.0436    4.5032   -0.8426 N   0  0  0  0  0
    7.6462    6.0606   -0.8717 C   0  0  0  0  0
    6.2891    5.9447   -1.4960 C   0  0  0  0  0
    5.7913    5.3360   -0.2483 C   0  0  0  0  0
    4.1919    5.4624    0.4878 C   0  0  0  0  0
    4.3797    5.3146    2.2719 N   0  0  0  0  0
    6.0824    5.2853    2.8343 C   0  0  0  0  0
    6.5944    5.8025    4.0328 C   0  0  0  0  0
    7.8344    6.4587    3.9645 C   0  0  0  0  0
    8.5046    6.7327    2.7528 C   0  0  0  0  0
    8.0633    6.2681    1.5027 C   0  0  0  0  0
    7.1463    5.2288    1.3787 C   0  0  0  0  0
    7.1322    6.9388    0.6153 C   0  0  0  0  0
    5.8157    6.4464    1.2156 C   0  0  0  0  0
    9.4458    4.2619   -0.5421 C   0  0  0  0  0
    1.8696    0.8825    0.8937 H   0  0  0  0  0
    2.2256    1.1214    2.6143 H   0  0  0  0  0
    2.9296   -0.2451    1.7247 H   0  0  0  0  0
    3.3962    2.6754    1.0498 H   0  0  0  0  0
    4.2967    1.3162    0.3536 H   0  0  0  0  0
    6.3369    0.4895    2.9975 H   0  0  0  0  0
    4.7934   -0.2308    2.6509 H   0  0  0  0  0
    5.4980    1.5696    5.0266 H   0  0  0  0  0
    4.9798   -0.1210    5.0592 H   0  0  0  0  0
    3.8252    1.1575    4.6292 H   0  0  0  0  0
    4.8699    3.7049    0.5637 H   0  0  0  0  0
    6.5303    2.8998   -0.7499 H   0  0  0  0  0
    7.6870    2.8086    0.5872 H   0  0  0  0  0
    8.3493    6.6594   -1.4593 H   0  0  0  0  0
    6.2232    5.2825   -2.3631 H   0  0  0  0  0
    5.8188    6.9064   -1.7171 H   0  0  0  0  0
    3.2620    5.9399    0.2037 H   0  0  0  0  0
    3.7075    5.7838    2.8581 H   0  0  0  0  0
    5.9989    5.8377    4.9376 H   0  0  0  0  0
    8.2375    6.8939    4.8790 H   0  0  0  0  0
    9.3725    7.3898    2.7746 H   0  0  0  0  0
    5.2484    7.1786    1.8200 H   0  0  0  0  0
    9.7019    3.2264   -0.7928 H   0  0  0  0  0
    9.7052    4.4208    0.5073 H   0  0  0  0  0
   10.0863    4.8999   -1.1591 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  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
  9 36  1  0  0  0
  9 37  1  0  0  0
 10 24  1  0  0  0
 10 11  1  0  0  0
 11 22  1  0  0  0
 11 12  1  0  0  0
 11 38  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 21  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  2  0  0  0
 23 46  1  0  0  0
 24 47  1  0  0  0
 24 48  1  0  0  0
 24 49  1  0  0  0
M  END

>  <Chemical Name>
D-Lysergic acid N,N-diethylamide

>  <PubChem CID>
3981

>  <Formula>
C20H25N3O

>  <Molecular Weight>
323.440000

>  <IUPAC Name>
N,N-diethyl-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

>  <XlogP>
3.000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

>  <Isomeric SMILES>
CCN(CC)C(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

>  <InChI Std. ID>
InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3

>  <InChI Key>
VAYOSLLFUXYJDT-UHFFFAOYSA-N

