
 CHEMBL306197

 60 63  0  0  0  0  0  0  0  0999 V2000
    3.0808   -0.9381    1.0216 C   0  0  0  0  0
    2.4996   -0.1980   -0.1719 C   0  0  0  0  0
    2.8657    1.2962   -0.2057 C   0  0  0  0  0
    4.3095    1.6293   -0.2483 N   0  0  0  0  0
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    6.4681    1.2632   -1.5920 C   0  0  0  0  0
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    4.8069    0.4527   -5.7974 C   0  0  0  0  0
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    6.3728    2.2761   -6.0382 C   0  0  0  0  0
    6.9979    1.9228   -4.8370 C   0  0  0  0  0
    8.0718    2.5827   -4.2985 O   0  0  0  0  0
    8.6906    3.5797   -5.1025 C   0  0  0  0  0
    4.5591    3.1027   -0.2045 C   0  0  0  0  0
    3.9867    3.7776    1.0549 C   0  0  0  0  0
    4.5287    5.2025    1.1781 C   0  0  0  0  0
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    4.0813    3.8831   -1.4509 C   0  0  0  0  0
    4.0917    6.2056   -2.4960 C   0  0  0  0  0
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    4.3672    8.2223   -1.1363 C   0  0  0  0  0
    4.4748    7.4099   -0.0049 C   0  0  0  0  0
    4.0168    8.1295   -3.6229 N   0  0  0  0  0
    3.8421    7.1365   -4.5485 C   0  0  0  0  0
    3.8869    5.9332   -3.8818 C   0  0  0  0  0
    2.7398   -1.9784    1.0167 H   0  0  0  0  0
    2.7550   -0.4806    1.9609 H   0  0  0  0  0
    4.1742   -0.9432    0.9988 H   0  0  0  0  0
    1.4060   -0.2775   -0.1287 H   0  0  0  0  0
    2.7961   -0.6954   -1.1015 H   0  0  0  0  0
    2.4176    1.7353    0.6919 H   0  0  0  0  0
    2.3464    1.7331   -1.0663 H   0  0  0  0  0
    4.4201    1.2557   -2.3209 H   0  0  0  0  0
    4.8747   -0.1041   -1.2994 H   0  0  0  0  0
    6.9952    1.0031   -0.6661 H   0  0  0  0  0
    6.6491    2.3273   -1.7793 H   0  0  0  0  0
    6.9397   -0.6187   -2.5675 H   0  0  0  0  0
    8.1690    0.6026   -2.7554 H   0  0  0  0  0
    5.0335   -0.7591   -4.0441 H   0  0  0  0  0
    3.9536   -0.1129   -6.1629 H   0  0  0  0  0
    4.7952    1.8383   -7.4410 H   0  0  0  0  0
    6.7054    3.1244   -6.6271 H   0  0  0  0  0
    8.0313    4.4454   -5.2264 H   0  0  0  0  0
    9.0032    3.1778   -6.0717 H   0  0  0  0  0
    9.5919    3.9195   -4.5811 H   0  0  0  0  0
    5.6454    3.2351   -0.1167 H   0  0  0  0  0
    4.2574    3.2126    1.9551 H   0  0  0  0  0
    2.8915    3.8215    1.0106 H   0  0  0  0  0
    5.5941    5.1676    1.4380 H   0  0  0  0  0
    4.0053    5.7033    2.0018 H   0  0  0  0  0
    3.0231    3.6780   -1.6493 H   0  0  0  0  0
    4.6471    3.5532   -2.3298 H   0  0  0  0  0
    4.4322    9.3021   -1.0540 H   0  0  0  0  0
    4.6308    7.8841    0.9627 H   0  0  0  0  0
    4.0272    9.1193   -3.8252 H   0  0  0  0  0
    3.7001    7.3679   -5.5948 H   0  0  0  0  0
    3.7823    4.9567   -4.3373 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  4  1  0  0  0
  3 34  1  0  0  0
  3 35  1  0  0  0
  4 16  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6  7  1  0  0  0
  6 38  1  0  0  0
  6 39  1  0  0  0
  7  8  1  0  0  0
  7 40  1  0  0  0
  7 41  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 42  1  0  0  0
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 28 60  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL306197

>  <PubChem CID>
11740280

>  <Formula>
C25H32N2O

>  <Molecular Weight>
376.544000

>  <IUPAC Name>
N-[3-(2-methoxyphenyl)propyl]-N-propyl-6,7,8,9-tetrahydro-3H-benzo[e]indol-8-amine

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN(CCCC1=CC=CC=C1OC)C2CCC3=C(C2)C4=C(C=C3)NC=C4

>  <Isomeric SMILES>
CCCN(CCCC1=CC=CC=C1OC)C2CCC3=C(C2)C4=C(C=C3)NC=C4

>  <InChI Std. ID>
InChI=1S/C25H32N2O/c1-3-16-27(17-6-8-20-7-4-5-9-25(20)28-2)21-12-10-19-11-13-24-22(14-15-26-24)23(19)18-21/h4-5,7,9,11,13-15,21,26H,3,6,8,10,12,16-18H2,1-2H3

>  <InChI Key>
AAYJEWYLPYARLE-UHFFFAOYSA-N

