
 CHEMBL310866

 33 36  0  0  0  0  0  0  0  0999 V2000
   -3.0453   -1.2445   -0.3566 C   0  0  0  0  0
   -3.0985    0.2917   -0.3511 C   0  0  0  0  0
   -1.7190    0.6331   -0.0931 N   0  0  0  0  0
   -1.1473    1.8900    0.0182 C   0  0  0  0  0
    0.1846    2.0473    0.1512 C   0  0  0  0  0
    1.0531    0.8545    0.1633 C   0  0  0  0  0
    2.4391    0.9783    0.3001 C   0  0  0  0  0
    3.2488   -0.1626    0.3036 C   0  0  0  0  0
    2.6836   -1.4334    0.1706 C   0  0  0  0  0
    1.3031   -1.5740    0.0332 C   0  0  0  0  0
    0.4981   -0.4339    0.0306 C   0  0  0  0  0
   -0.9716   -0.5253   -0.1146 C   0  0  0  0  0
   -1.6127   -1.6553   -0.2758 N   0  0  0  0  0
   -2.0088    3.0820    0.0028 C   0  0  0  0  0
   -2.7815    3.4075    1.1247 C   0  0  0  0  0
   -3.6021    4.5398    1.1138 C   0  0  0  0  0
   -3.6488    5.3586   -0.0204 C   0  0  0  0  0
   -2.8747    5.0396   -1.1396 C   0  0  0  0  0
   -2.0582    3.9059   -1.1286 C   0  0  0  0  0
   -4.6384    6.7717   -0.1047 Cl  0  0  0  0  0
   -4.5347    4.8684    2.5313 Cl  0  0  0  0  0
   -3.4976   -1.6493   -1.2678 H   0  0  0  0  0
   -3.5834   -1.6556    0.5046 H   0  0  0  0  0
   -3.4274    0.6709   -1.3246 H   0  0  0  0  0
   -3.7767    0.6547    0.4276 H   0  0  0  0  0
    0.6481    3.0229    0.2492 H   0  0  0  0  0
    2.9021    1.9563    0.4042 H   0  0  0  0  0
    4.3264   -0.0602    0.4101 H   0  0  0  0  0
    3.3196   -2.3154    0.1739 H   0  0  0  0  0
    0.8583   -2.5602   -0.0709 H   0  0  0  0  0
   -2.7419    2.7734    2.0081 H   0  0  0  0  0
   -2.9029    5.6694   -2.0260 H   0  0  0  0  0
   -1.4635    3.6657   -2.0089 H   0  0  0  0  0
  1  2  1  0  0  0
  1 13  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  2  0  0  0
  4 14  1  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  8  9  2  0  0  0
  8 28  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 32  1  0  0  0
 19 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL310866

>  <PubChem CID>
10448393

>  <Formula>
C17H12Cl2N2

>  <Molecular Weight>
315.197000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CN2C(=CC3=CC=CC=C3C2=N1)C4=CC(=C(C=C4)Cl)Cl

>  <Isomeric SMILES>
C1CN2C(=CC3=CC=CC=C3C2=N1)C4=CC(=C(C=C4)Cl)Cl

>  <InChI Std. ID>
InChI=1S/C17H12Cl2N2/c18-14-6-5-12(9-15(14)19)16-10-11-3-1-2-4-13(11)17-20-7-8-21(16)17/h1-6,9-10H,7-8H2

>  <InChI Key>
AHXZDQDPYIIPTD-UHFFFAOYSA-N

