
 CHEMBL312650

 36 39  0  0  0  0  0  0  0  0999 V2000
    1.0217   -0.4857    0.6875 C   0  0  0  0  0
    2.4815   -0.3335    0.3766 C   0  0  0  0  0
    2.8875    0.1651   -0.8672 C   0  0  0  0  0
    4.2455    0.2818   -1.1745 C   0  0  0  0  0
    5.2169   -0.1075   -0.2450 C   0  0  0  0  0
    4.8119   -0.6145    0.9951 C   0  0  0  0  0
    3.4537   -0.7338    1.3007 C   0  0  0  0  0
    6.6473    0.0177   -0.5651 C   0  0  0  0  0
    7.2198    1.2377   -0.5393 C   0  0  0  0  0
    8.6525    1.3674   -0.8667 C   0  0  0  0  0
    9.2807    2.6165   -0.8505 C   0  0  0  0  0
   10.6385    2.7236   -1.1700 C   0  0  0  0  0
   11.3790    1.5876   -1.5077 C   0  0  0  0  0
   10.7675    0.3349   -1.5285 C   0  0  0  0  0
    9.4128    0.2314   -1.2089 C   0  0  0  0  0
    8.7131   -1.0727   -1.2188 C   0  0  0  0  0
    9.2908   -2.2014   -1.5465 N   0  0  0  0  0
    8.2034   -3.2136   -1.3933 C   0  0  0  0  0
    6.9017   -2.4666   -1.0599 C   0  0  0  0  0
    7.3788   -1.1165   -0.8786 N   0  0  0  0  0
    0.4545    0.3686    0.3033 H   0  0  0  0  0
    0.8501   -0.5308    1.7683 H   0  0  0  0  0
    0.6362   -1.4040    0.2337 H   0  0  0  0  0
    2.1479    0.4670   -1.6054 H   0  0  0  0  0
    4.5422    0.6723   -2.1453 H   0  0  0  0  0
    5.5549   -0.9207    1.7283 H   0  0  0  0  0
    3.1612   -1.1381    2.2671 H   0  0  0  0  0
    6.6619    2.1327   -0.2877 H   0  0  0  0  0
    8.7244    3.5141   -0.5922 H   0  0  0  0  0
   11.1215    3.6980   -1.1565 H   0  0  0  0  0
   12.4338    1.6791   -1.7554 H   0  0  0  0  0
   11.3382   -0.5521   -1.7911 H   0  0  0  0  0
    8.0991   -3.7897   -2.3184 H   0  0  0  0  0
    8.4721   -3.9056   -0.5875 H   0  0  0  0  0
    6.1943   -2.5314   -1.8938 H   0  0  0  0  0
    6.4381   -2.8767   -0.1575 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  4  5  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  6  7  2  0  0  0
  6 26  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 20  1  0  0  0
  9 10  1  0  0  0
  9 28  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 32  1  0  0  0
 15 16  1  0  0  0
 16 20  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 18 34  1  0  0  0
 19 20  1  0  0  0
 19 35  1  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL312650

>  <PubChem CID>
10015480

>  <Formula>
C18H16N2

>  <Molecular Weight>
260.340000

>  <IUPAC Name>
5-(4-methylphenyl)-2,3-dihydroimidazo[2,1-a]isoquinoline

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C4=NCCN24

>  <Isomeric SMILES>
CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C4=NCCN24

>  <InChI Std. ID>
InChI=1S/C18H16N2/c1-13-6-8-14(9-7-13)17-12-15-4-2-3-5-16(15)18-19-10-11-20(17)18/h2-9,12H,10-11H2,1H3

>  <InChI Key>
CMJCEGZQDMAHMN-UHFFFAOYSA-N

