
 CHEMBL3753180

 50 54  0  0  0  0  0  0  0  0999 V2000
    1.8598   -0.0157   -0.0905 C   0  0  0  0  0
    3.1770   -0.5994    0.4370 C   0  0  0  0  0
    3.4916   -1.8987   -0.3020 C   0  0  0  0  0
    4.1730   -1.8270   -1.5354 C   0  0  0  0  0
    4.5387   -2.9753   -2.2261 C   0  0  0  0  0
    4.2068   -4.2219   -1.7107 C   0  0  0  0  0
    3.4823   -4.3393   -0.5168 C   0  0  0  0  0
    3.1317   -5.6141   -0.0430 C   0  0  0  0  0
    2.3865   -5.7699    1.1229 C   0  0  0  0  0
    1.9819   -4.6484    1.8315 C   0  0  0  0  0
    2.3345   -3.3730    1.3802 C   0  0  0  0  0
    3.0990   -3.1761    0.2033 C   0  0  0  0  0
    4.2233    0.4310    0.3146 N   0  0  0  0  0
    5.5246    0.0776    0.8903 C   0  0  0  0  0
    5.5272   -0.2545    2.4068 C   0  0  0  0  0
    5.2079    0.9723    3.2825 C   0  0  0  0  0
    6.2015    2.1359    3.0803 C   0  0  0  0  0
    6.7041    2.2187    1.6775 C   0  0  0  0  0
    6.4006    1.2766    0.7132 C   0  0  0  0  0
    7.0424    1.6189   -0.4425 N   0  0  0  0  0
    7.8060    2.7476   -0.2366 C   0  0  0  0  0
    8.6624    3.4303   -1.1085 C   0  0  0  0  0
    9.3236    4.5600   -0.6175 C   0  0  0  0  0
    9.1288    4.9941    0.6919 C   0  0  0  0  0
    8.2682    4.3028    1.5521 C   0  0  0  0  0
    7.5968    3.1555    1.0850 C   0  0  0  0  0
    1.5815    0.8879    0.4640 H   0  0  0  0  0
    1.0390   -0.7334    0.0215 H   0  0  0  0  0
    1.9258    0.2477   -1.1524 H   0  0  0  0  0
    3.0323   -0.7898    1.5029 H   0  0  0  0  0
    4.4400   -0.8568   -1.9511 H   0  0  0  0  0
    5.0848   -2.8974   -3.1620 H   0  0  0  0  0
    4.5072   -5.1104   -2.2625 H   0  0  0  0  0
    3.4335   -6.5052   -0.5902 H   0  0  0  0  0
    2.1177   -6.7634    1.4699 H   0  0  0  0  0
    1.3883   -4.7599    2.7351 H   0  0  0  0  0
    1.9790   -2.5306    1.9666 H   0  0  0  0  0
    3.8996    1.2896    0.7579 H   0  0  0  0  0
    5.9700   -0.7640    0.3476 H   0  0  0  0  0
    4.8371   -1.0723    2.6369 H   0  0  0  0  0
    6.5253   -0.6240    2.6836 H   0  0  0  0  0
    5.2092    0.6808    4.3393 H   0  0  0  0  0
    4.1916    1.3183    3.0597 H   0  0  0  0  0
    7.0593    1.9938    3.7490 H   0  0  0  0  0
    5.7185    3.0778    3.3662 H   0  0  0  0  0
    6.9772    1.1122   -1.3164 H   0  0  0  0  0
    8.8189    3.0941   -2.1284 H   0  0  0  0  0
   10.0021    5.1073   -1.2681 H   0  0  0  0  0
    9.6524    5.8755    1.0532 H   0  0  0  0  0
    8.1263    4.6442    2.5726 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2 13  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  1  0  0  0
 13 14  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 19  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
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 17 18  1  0  0  0
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 17 45  1  0  0  0
 18 19  2  0  0  0
 18 26  1  0  0  0
 19 20  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 48  1  0  0  0
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 25 26  2  0  0  0
 25 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3753180

>  <PubChem CID>
127036857

>  <Formula>
C24H24N2

>  <Molecular Weight>
340.470000

>  <IUPAC Name>
N-[(1R)-1-naphthalen-1-ylethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

>  <XlogP>
5.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(C1=CC=CC2=CC=CC=C21)NC3CCCC4=C3NC5=CC=CC=C45

>  <Isomeric SMILES>
C[C@H](C1=CC=CC2=CC=CC=C21)NC3CCCC4=C3NC5=CC=CC=C45

>  <InChI Std. ID>
InChI=1S/C24H24N2/c1-16(18-12-6-9-17-8-2-3-10-19(17)18)25-23-15-7-13-21-20-11-4-5-14-22(20)26-24(21)23/h2-6,8-12,14,16,23,25-26H,7,13,15H2,1H3/t16-,23?/m1/s1

>  <InChI Key>
FIFWXPOXYQZXBG-ADRQNKRLSA-N

