
 AC1L1H1T

 51 54  0  0  0  0  0  0  0  0999 V2000
    8.9430    6.7499    0.5188 C   0  0  0  0  0
    9.9352    5.5976    0.5739 C   0  0  0  0  0
    9.4581    4.4799    1.3947 N   0  0  0  0  0
   10.1459    4.2586    2.6666 C   0  0  0  0  0
   11.4001    3.4168    2.4828 C   0  0  0  0  0
    8.4622    3.5772    1.0433 C   0  0  0  0  0
    8.1046    2.6557    1.7669 O   0  0  0  0  0
    7.8819    3.7961   -0.1727 N   0  0  0  0  0
    6.8484    2.9292   -0.7050 C   0  0  0  0  0
    7.3269    1.5019   -1.0869 C   0  0  0  0  0
    8.1639    1.4138   -2.3027 N   0  0  0  0  0
    7.4746    2.0140   -3.4810 C   0  0  0  0  0
    8.4327    2.1995   -4.7206 C   0  0  0  0  0
    7.7367    2.9001   -5.8334 C   0  0  0  0  0
    7.9730    2.9800   -7.1857 C   0  0  0  0  0
    7.0184    3.8155   -7.7235 N   0  0  0  0  0
    6.1773    4.2806   -6.7354 C   0  0  0  0  0
    5.0802    5.1433   -6.7709 C   0  0  0  0  0
    4.4393    5.4026   -5.5501 C   0  0  0  0  0
    4.8769    4.8261   -4.3489 C   0  0  0  0  0
    5.9825    3.9658   -4.3263 C   0  0  0  0  0
    6.6153    3.7100   -5.5514 C   0  0  0  0  0
    6.5752    3.2544   -3.1659 C   0  0  0  0  0
    6.3133    3.6534   -1.9059 C   0  0  0  0  0
    9.5200    1.8886   -2.0580 C   0  0  0  0  0
    9.4108    7.6296    0.0655 H   0  0  0  0  0
    8.5939    7.0210    1.5201 H   0  0  0  0  0
    8.0638    6.4984   -0.0823 H   0  0  0  0  0
   10.8825    5.9613    0.9878 H   0  0  0  0  0
   10.1558    5.2339   -0.4353 H   0  0  0  0  0
    9.4751    3.7519    3.3689 H   0  0  0  0  0
   10.3931    5.2297    3.1106 H   0  0  0  0  0
   11.1761    2.4806    1.9605 H   0  0  0  0  0
   11.8408    3.1724    3.4539 H   0  0  0  0  0
   12.1504    3.9546    1.8941 H   0  0  0  0  0
    8.3715    4.3638   -0.8401 H   0  0  0  0  0
    6.0607    2.8365    0.0522 H   0  0  0  0  0
    6.4366    0.8807   -1.2607 H   0  0  0  0  0
    7.8411    1.0234   -0.2448 H   0  0  0  0  0
    6.7511    1.2440   -3.7953 H   0  0  0  0  0
    8.8003    1.2222   -5.0545 H   0  0  0  0  0
    9.3000    2.8149   -4.4536 H   0  0  0  0  0
    8.7306    2.5302   -7.8133 H   0  0  0  0  0
    6.9469    4.0621   -8.7006 H   0  0  0  0  0
    4.7319    5.5920   -7.6945 H   0  0  0  0  0
    3.5752    6.0643   -5.5362 H   0  0  0  0  0
    4.3300    5.0484   -3.4374 H   0  0  0  0  0
    5.6936    4.5183   -1.6941 H   0  0  0  0  0
    9.5975    2.9789   -2.0389 H   0  0  0  0  0
   10.2014    1.5112   -2.8278 H   0  0  0  0  0
    9.9112    1.4981   -1.1110 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  6  1  0  0  0
  3  4  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  4 32  1  0  0  0
  5 33  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  8  1  0  0  0
  6  7  2  0  0  0
  8  9  1  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
  9 37  1  0  0  0
 10 11  1  0  0  0
 10 38  1  0  0  0
 10 39  1  0  0  0
 11 25  1  0  0  0
 11 12  1  0  0  0
 12 23  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  2  0  0  0
 14 22  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 16 44  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 45  1  0  0  0
 19 20  2  0  0  0
 19 46  1  0  0  0
 20 21  1  0  0  0
 20 47  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 24  2  0  0  0
 24 48  1  0  0  0
 25 49  1  0  0  0
 25 50  1  0  0  0
 25 51  1  0  0  0
M  END

>  <Chemical Name>
AC1L1H1T

>  <PubChem CID>
3938

>  <Formula>
C20H26N4O

>  <Molecular Weight>
338.455000

>  <IUPAC Name>
1,1-diethyl-3-(7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-yl)urea

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

>  <Isomeric SMILES>
CCN(CC)C(=O)NC1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C

>  <InChI Std. ID>
InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)

>  <InChI Key>
BKRGVLQUQGGVSM-UHFFFAOYSA-N

