
 CHEMBL480892

 69 72  0  0  0  0  0  0  0  0999 V2000
    1.2661    0.9644    1.2564 C   0  0  0  0  0
    2.3291    0.3792    0.3315 C   0  0  0  0  0
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    9.5718   -1.7722    2.3648 H   0  0  0  0  0
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    7.9241    1.5834    3.4394 H   0  0  0  0  0
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    8.0176   -4.0658    5.1800 H   0  0  0  0  0
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    4.5606   -1.2250   -0.3793 H   0  0  0  0  0
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    3.8865   -3.3468    0.3160 H   0  0  0  0  0
  1  2  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL480892

>  <PubChem CID>
25192493

>  <Formula>
C29H36N2O2

>  <Molecular Weight>
444.619000

>  <IUPAC Name>
2-(2,6-diethylphenyl)-4-methoxy-N-(5-methoxy-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinolin-5-amine

>  <XlogP>
6.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=C(C=CC(=C4)OC)C)C(=C2)OC

>  <Isomeric SMILES>
CCC1=C(C(=CC=C1)CC)C2=NC3=C(C(CCC3)N(C)C4=C(C=CC(=C4)OC)C)C(=C2)OC

>  <InChI Std. ID>
InChI=1S/C29H36N2O2/c1-7-20-11-9-12-21(8-2)28(20)24-18-27(33-6)29-23(30-24)13-10-14-25(29)31(4)26-17-22(32-5)16-15-19(26)3/h9,11-12,15-18,25H,7-8,10,13-14H2,1-6H3

>  <InChI Key>
DOKDYONJNNVZHC-UHFFFAOYSA-N

