
 CHEMBL1744036

 50 52  0  0  0  0  0  0  0  0999 V2000
    0.8928    0.7886    2.1842 C   0  0  0  0  0
    2.0012    0.6073    1.1547 C   0  0  0  0  0
    2.8390    1.8888    1.0086 C   0  0  0  0  0
    3.9997    1.7838    0.1072 N   0  0  0  0  0
    3.7401    1.1365   -1.1911 C   0  0  0  0  0
    2.6364    1.7249   -2.0855 C   0  0  0  0  0
    2.4329    0.8829   -3.3375 C   0  0  0  0  0
    4.8177    3.0245   -0.0008 C   0  0  0  0  0
    5.4858    3.4224    1.3304 C   0  0  0  0  0
    6.3778    4.6549    1.1338 C   0  0  0  0  0
    5.5636    5.8287    0.6498 C   0  0  0  0  0
    4.4412    5.6012   -0.1697 C   0  0  0  0  0
    4.0921    4.2195   -0.6537 C   0  0  0  0  0
    3.6259    6.7040   -0.5187 C   0  0  0  0  0
    3.9767    7.9824   -0.1019 C   0  0  0  0  0
    5.1319    8.2358    0.6424 C   0  0  0  0  0
    5.9137    7.1351    1.0158 C   0  0  0  0  0
    2.9960    8.8334   -0.5579 N   0  0  0  0  0
    1.9990    8.1400   -1.2116 C   0  0  0  0  0
    2.4055    6.8197   -1.2436 C   0  0  0  0  0
    0.8115    8.7841   -1.7083 C   0  0  0  0  0
    0.6157    9.9931   -1.6333 O   0  0  0  0  0
   -0.1278    7.9668   -2.2611 N   0  0  0  0  0
    0.2462   -0.0944    2.2039 H   0  0  0  0  0
    0.2703    1.6576    1.9460 H   0  0  0  0  0
    1.3090    0.9280    3.1867 H   0  0  0  0  0
    1.5302    0.3401    0.2033 H   0  0  0  0  0
    2.6386   -0.2324    1.4530 H   0  0  0  0  0
    3.1955    2.1445    2.0125 H   0  0  0  0  0
    2.1671    2.6961    0.6997 H   0  0  0  0  0
    3.5095    0.0807   -1.0005 H   0  0  0  0  0
    4.6760    1.1008   -1.7644 H   0  0  0  0  0
    2.8903    2.7341   -2.4138 H   0  0  0  0  0
    1.6847    1.7926   -1.5494 H   0  0  0  0  0
    3.3539    0.8314   -3.9270 H   0  0  0  0  0
    1.6538    1.3258   -3.9664 H   0  0  0  0  0
    2.1264   -0.1357   -3.0817 H   0  0  0  0  0
    5.6631    2.7769   -0.6605 H   0  0  0  0  0
    6.0957    2.5920    1.7066 H   0  0  0  0  0
    4.7360    3.6491    2.0978 H   0  0  0  0  0
    7.1745    4.4459    0.4101 H   0  0  0  0  0
    6.8530    4.8979    2.0918 H   0  0  0  0  0
    3.0092    4.1162   -0.5442 H   0  0  0  0  0
    4.3029    4.2004   -1.7308 H   0  0  0  0  0
    5.4041    9.2411    0.9475 H   0  0  0  0  0
    6.8012    7.3088    1.6221 H   0  0  0  0  0
    2.9686    9.8324   -0.3978 H   0  0  0  0  0
    1.8669    5.9978   -1.6934 H   0  0  0  0  0
   -0.0414    6.9635   -2.2797 H   0  0  0  0  0
   -0.9927    8.3888   -2.5690 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  3 30  1  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 13  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
  9 39  1  0  0  0
  9 40  1  0  0  0
 10 11  1  0  0  0
 10 41  1  0  0  0
 10 42  1  0  0  0
 11 17  1  0  0  0
 11 12  2  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  2  0  0  0
 14 20  1  0  0  0
 15 16  1  0  0  0
 15 18  1  0  0  0
 16 17  2  0  0  0
 16 45  1  0  0  0
 17 46  1  0  0  0
 18 19  1  0  0  0
 18 47  1  0  0  0
 19 20  2  0  0  0
 19 21  1  0  0  0
 20 48  1  0  0  0
 21 23  1  0  0  0
 21 22  2  0  0  0
 23 49  1  0  0  0
 23 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1744036

>  <PubChem CID>
14950447

>  <Formula>
C19H27N3O

>  <Molecular Weight>
313.445000

>  <IUPAC Name>
(8R)-8-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indole-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCC)C1CCC2=C(C1)C3=C(C=C2)NC(=C3)C(=O)N

>  <Isomeric SMILES>
CCCN(CCC)[C@@H]1CCC2=C(C1)C3=C(C=C2)NC(=C3)C(=O)N

>  <InChI Std. ID>
InChI=1S/C19H27N3O/c1-3-9-22(10-4-2)14-7-5-13-6-8-17-16(15(13)11-14)12-18(21-17)19(20)23/h6,8,12,14,21H,3-5,7,9-11H2,1-2H3,(H2,20,23)/t14-/m1/s1

>  <InChI Key>
AJMVNIXLWRBDLU-CQSZACIVSA-N

