
 CHEMBL3262546

 58 62  0  0  0  0  0  0  0  0999 V2000
    4.5277    8.1157   -2.6615 C   0  0  0  0  0
    5.5333    7.0656   -2.2081 C   0  0  0  0  0
    4.9135    5.6762   -2.0303 C   0  0  0  0  0
    5.9398    4.6447   -1.6600 C   0  0  0  0  0
    6.9951    4.1680   -2.4217 C   0  0  0  0  0
    7.7986    3.1661   -1.8812 C   0  0  0  0  0
    7.5217    2.6432   -0.6093 C   0  0  0  0  0
    6.4491    3.1291    0.1464 C   0  0  0  0  0
    5.6803    4.1544   -0.3786 C   0  0  0  0  0
    4.5736    4.8312    0.1785 N   0  0  0  0  0
    3.9721    5.6269   -0.8148 C   0  0  0  0  0
    2.8961    6.2034   -0.7709 O   0  0  0  0  0
    4.0712    4.5983    1.5493 C   0  0  0  0  0
    5.1295    4.8369    2.6389 C   0  0  0  0  0
    5.4988    6.3131    2.7512 C   0  0  0  0  0
    4.3532    7.1732    3.0925 N   0  0  0  0  0
    3.2214    6.9289    2.1728 C   0  0  0  0  0
    2.8640    5.4475    1.9772 C   0  0  0  0  0
    4.7632    8.6163    3.0710 C   0  0  0  0  0
    5.8981    8.9471    4.0691 C   0  0  0  0  0
    5.4573    8.6795    5.5052 C   0  0  0  0  0
    4.1747    9.4261    5.8841 C   0  0  0  0  0
    3.3470    9.9388    4.7309 C   0  0  0  0  0
    2.2943   10.8290    4.9969 C   0  0  0  0  0
    1.5408   11.3750    3.9584 C   0  0  0  0  0
    1.8270   11.0373    2.6395 C   0  0  0  0  0
    2.8639   10.1483    2.3609 C   0  0  0  0  0
    3.6258    9.5808    3.3986 C   0  0  0  0  0
    5.0429    9.0552   -2.8871 H   0  0  0  0  0
    3.7893    8.3286   -1.8830 H   0  0  0  0  0
    3.9987    7.7936   -3.5636 H   0  0  0  0  0
    5.9970    7.4038   -1.2724 H   0  0  0  0  0
    6.3337    7.0171   -2.9555 H   0  0  0  0  0
    4.3577    5.3457   -2.9154 H   0  0  0  0  0
    7.1918    4.5569   -3.4163 H   0  0  0  0  0
    8.6354    2.7742   -2.4544 H   0  0  0  0  0
    8.1434    1.8447   -0.2110 H   0  0  0  0  0
    6.2341    2.6762    1.1064 H   0  0  0  0  0
    3.7661    3.5441    1.5748 H   0  0  0  0  0
    6.0445    4.2659    2.4762 H   0  0  0  0  0
    4.7372    4.4891    3.6049 H   0  0  0  0  0
    6.2537    6.3726    3.5420 H   0  0  0  0  0
    5.9744    6.6445    1.8194 H   0  0  0  0  0
    2.3194    7.4080    2.5698 H   0  0  0  0  0
    3.4354    7.3932    1.2066 H   0  0  0  0  0
    2.4819    5.0584    2.9316 H   0  0  0  0  0
    2.0326    5.3427    1.2722 H   0  0  0  0  0
    5.1404    8.8637    2.0681 H   0  0  0  0  0
    6.8115    8.3863    3.8455 H   0  0  0  0  0
    6.1794   10.0052    3.9700 H   0  0  0  0  0
    6.2609    8.9585    6.1978 H   0  0  0  0  0
    5.3042    7.6030    5.6498 H   0  0  0  0  0
    4.4578   10.2862    6.5045 H   0  0  0  0  0
    3.5522    8.7737    6.5082 H   0  0  0  0  0
    2.0676   11.1132    6.0225 H   0  0  0  0  0
    0.7339   12.0684    4.1788 H   0  0  0  0  0
    1.2435   11.4628    1.8281 H   0  0  0  0  0
    3.0733    9.8912    1.3242 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  2 32  1  0  0  0
  2 33  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  3 34  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 36  1  0  0  0
  7  8  1  0  0  0
  7 37  1  0  0  0
  8  9  2  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
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 10 13  1  0  0  0
 11 12  2  0  0  0
 13 18  1  0  0  0
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 14 15  1  0  0  0
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 15 16  1  0  0  0
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 27 28  2  0  0  0
 27 58  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3262546

>  <PubChem CID>
90655974

>  <Formula>
C25H30N2O

>  <Molecular Weight>
374.528000

>  <IUPAC Name>
3-ethyl-1-[1-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidin-4-yl]-3H-indol-2-one

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C4CCCC5=CC=CC=C45

>  <Isomeric SMILES>
CCC1C2=CC=CC=C2N(C1=O)C3CCN(CC3)C4CCCC5=CC=CC=C45

>  <InChI Std. ID>
InChI=1S/C25H30N2O/c1-2-20-22-11-5-6-12-24(22)27(25(20)28)19-14-16-26(17-15-19)23-13-7-9-18-8-3-4-10-21(18)23/h3-6,8,10-12,19-20,23H,2,7,9,13-17H2,1H3

>  <InChI Key>
AJLIYNOOTFOYSN-UHFFFAOYSA-N

