
 CHEMBL6938

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.9256    0.2385    0.2765 C   0  0  0  0  0
    2.3258    0.1899    0.0289 O   0  0  0  0  0
    3.0031    1.3762    0.1120 C   0  0  0  0  0
    2.4428    2.6211    0.3966 C   0  0  0  0  0
    3.2481    3.7688    0.4416 C   0  0  0  0  0
    4.6419    3.6684    0.2305 C   0  0  0  0  0
    5.5483    4.8679    0.3956 C   0  0  0  0  0
    5.4201    5.9654   -0.6689 C   0  0  0  0  0
    4.0073    6.4006   -1.0710 C   0  0  0  0  0
    2.9936    6.2021   -0.0084 C   0  0  0  0  0
    2.6201    5.0581    0.6591 C   0  0  0  0  0
    1.5553    5.3017    1.4869 N   0  0  0  0  0
    1.2879    6.5950    1.3759 C   0  0  0  0  0
    2.1517    7.1698    0.4656 N   0  0  0  0  0
    0.2338    7.3256    2.0929 C   0  0  0  0  0
   -0.6018    6.6315    2.9818 C   0  0  0  0  0
   -1.6130    7.2914    3.6861 C   0  0  0  0  0
   -1.8054    8.6591    3.5104 C   0  0  0  0  0
   -0.9874    9.3653    2.6326 C   0  0  0  0  0
    0.0242    8.7041    1.9288 C   0  0  0  0  0
    5.1931    2.4138   -0.0600 C   0  0  0  0  0
    4.3763    1.2825   -0.1241 C   0  0  0  0  0
    0.5374   -0.7819    0.2020 H   0  0  0  0  0
    0.4142    0.8454   -0.4783 H   0  0  0  0  0
    0.7134    0.6013    1.2878 H   0  0  0  0  0
    1.3780    2.7391    0.5736 H   0  0  0  0  0
    6.5958    4.5394    0.4187 H   0  0  0  0  0
    5.3727    5.2967    1.3919 H   0  0  0  0  0
    5.9494    5.6509   -1.5780 H   0  0  0  0  0
    5.9657    6.8446   -0.3007 H   0  0  0  0  0
    3.6965    5.8186   -1.9488 H   0  0  0  0  0
    4.0313    7.4470   -1.3990 H   0  0  0  0  0
    2.1407    8.1369    0.1789 H   0  0  0  0  0
   -0.4619    5.5621    3.1310 H   0  0  0  0  0
   -2.2475    6.7337    4.3700 H   0  0  0  0  0
   -2.5904    9.1734    4.0585 H   0  0  0  0  0
   -1.1355   10.4335    2.4958 H   0  0  0  0  0
    0.6393    9.2955    1.2574 H   0  0  0  0  0
    6.2619    2.3025   -0.2244 H   0  0  0  0  0
    4.8170    0.3139   -0.3479 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  3 22  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 26  1  0  0  0
  5  6  2  0  0  0
  5 11  1  0  0  0
  6 21  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
  9 32  1  0  0  0
 10 14  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 14 33  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 34  1  0  0  0
 17 18  2  0  0  0
 17 35  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  2  0  0  0
 19 37  1  0  0  0
 20 38  1  0  0  0
 21 22  2  0  0  0
 21 39  1  0  0  0
 22 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL6938

>  <PubChem CID>
22934130

>  <Formula>
C19H18N2O

>  <Molecular Weight>
290.366000

>  <IUPAC Name>
9-methoxy-2-phenyl-3,4,5,6-tetrahydrobenzo[2,3]cyclohepta[2,4-b]imidazole

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
COC1=CC2=C(CCCC3=C2N=C(N3)C4=CC=CC=C4)C=C1

>  <Isomeric SMILES>
COC1=CC2=C(CCCC3=C2N=C(N3)C4=CC=CC=C4)C=C1

>  <InChI Std. ID>
InChI=1S/C19H18N2O/c1-22-15-11-10-13-8-5-9-17-18(16(13)12-15)21-19(20-17)14-6-3-2-4-7-14/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,20,21)

>  <InChI Key>
AOBJTWDVQLXNDW-UHFFFAOYSA-N

