
 CHEMBL2310837

 49 52  0  0  0  0  0  0  0  0999 V2000
    6.7195    0.5346   -1.0796 C   0  0  0  0  0
    6.6321    1.9659   -1.5875 C   0  0  0  0  0
    6.5367    2.9832   -0.4525 C   0  0  0  0  0
    6.5446    2.5951    0.7182 O   0  0  0  0  0
    6.4455    4.3536   -0.8490 N   0  0  0  0  0
    6.4854    4.7976   -2.0915 C   0  0  0  0  0
    8.0118    5.1494   -1.3006 C   0  0  0  0  0
    7.8297    5.0504    0.6020 C   0  0  0  0  0
    6.0346    5.2756    1.0330 C   0  0  0  0  0
    6.2238    6.0324   -0.1399 C   0  0  0  0  0
    5.2350    7.0415   -0.8568 C   0  0  0  0  0
    4.3313    6.3016   -1.7969 C   0  0  0  0  0
    4.7954    4.9124   -1.5152 C   0  0  0  0  0
    4.6111    4.9265    0.2527 N   0  0  0  0  0
    3.8279    3.8275    0.7900 C   0  0  0  0  0
    2.4140    3.9578    0.2915 C   0  0  0  0  0
    1.7631    2.9862   -0.3702 C   0  0  0  0  0
    0.4412    3.1320   -0.9991 C   0  0  0  0  0
    0.1175    2.2837   -2.0676 C   0  0  0  0  0
   -1.1105    2.4054   -2.7197 C   0  0  0  0  0
   -2.0363    3.3619   -2.3137 C   0  0  0  0  0
   -1.7357    4.1958   -1.2385 C   0  0  0  0  0
   -0.5069    4.0764   -0.5818 C   0  0  0  0  0
   -1.4783    1.3702   -4.0453 Cl  0  0  0  0  0
    6.7584   -0.1663   -1.9195 H   0  0  0  0  0
    5.8512    0.2802   -0.4618 H   0  0  0  0  0
    7.6193    0.3889   -0.4717 H   0  0  0  0  0
    5.7419    2.0562   -2.2183 H   0  0  0  0  0
    7.5252    2.1758   -2.1840 H   0  0  0  0  0
    6.5923    4.0424   -2.8691 H   0  0  0  0  0
    8.3792    6.1439   -1.5886 H   0  0  0  0  0
    8.7712    4.3970   -1.5645 H   0  0  0  0  0
    8.4337    5.8678    1.0261 H   0  0  0  0  0
    8.2368    4.1027    0.9685 H   0  0  0  0  0
    5.8861    5.8790    1.9312 H   0  0  0  0  0
    7.0933    6.7166   -0.1211 H   0  0  0  0  0
    4.6822    7.6300   -0.1137 H   0  0  0  0  0
    5.8205    7.7651   -1.4408 H   0  0  0  0  0
    3.2768    6.4555   -1.5478 H   0  0  0  0  0
    4.4887    6.5876   -2.8407 H   0  0  0  0  0
    4.1669    4.1135   -1.9267 H   0  0  0  0  0
    3.8035    3.8995    1.8829 H   0  0  0  0  0
    4.2188    2.8424    0.5349 H   0  0  0  0  0
    1.9637    4.9343    0.4433 H   0  0  0  0  0
    2.2607    2.0309   -0.5257 H   0  0  0  0  0
    0.8288    1.5346   -2.4082 H   0  0  0  0  0
   -2.9890    3.4608   -2.8254 H   0  0  0  0  0
   -2.4551    4.9417   -0.9100 H   0  0  0  0  0
   -0.3032    4.7347    0.2591 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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 31  1  0  0  0
  7 32  1  0  0  0
  8  9  1  0  0  0
  8 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  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  1  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 42  1  0  0  0
 15 43  1  0  0  0
 16 17  2  0  0  0
 16 44  1  0  0  0
 17 18  1  0  0  0
 17 45  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 46  1  0  0  0
 20 21  2  0  0  0
 20 24  1  0  0  0
 21 22  1  0  0  0
 21 47  1  0  0  0
 22 23  2  0  0  0
 22 48  1  0  0  0
 23 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2310837

>  <PubChem CID>
71720333

>  <Formula>
C20H25ClN2O

>  <Molecular Weight>
344.883000

>  <IUPAC Name>


>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC(=O)N1C2CCC3C1CCC2N3CC=CC4=CC(=CC=C4)Cl

>  <Isomeric SMILES>
CCC(=O)N1[C@@H]2CCC3C1CC[C@H]2N3C/C=C/C4=CC(=CC=C4)Cl

>  <InChI Std. ID>
InChI=1S/C20H25ClN2O/c1-2-20(24)23-18-10-8-16-19(23)11-9-17(18)22(16)12-4-6-14-5-3-7-15(21)13-14/h3-7,13,16-19H,2,8-12H2,1H3/b6-4+/t16-,17?,18?,19-/m1/s1

>  <InChI Key>
ACRMRXLXLOKVTF-NMYGXFKOSA-N

