
 CHEMBL438888

 60 62  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL438888

>  <PubChem CID>
44446725

>  <Formula>
C25H32N2O

>  <Molecular Weight>
376.544000

>  <IUPAC Name>
1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipropylisoquinolin-4-amine

>  <XlogP>
6.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCN(CCC)C1=C(N=C(C2=CC=CC=C21)C3=C(C=C(C=C3OC)C)C)C

>  <Isomeric SMILES>
CCCN(CCC)C1=C(N=C(C2=CC=CC=C21)C3=C(C=C(C=C3OC)C)C)C

>  <InChI Std. ID>
InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3

>  <InChI Key>
AREQCBAQXYOCPQ-UHFFFAOYSA-N

