
 CHEMBL96782

 52 55  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL96782

>  <PubChem CID>
10043487

>  <Formula>
C22H26N2O2

>  <Molecular Weight>
350.462000

>  <IUPAC Name>
1-[(3,4-dimethoxyphenyl)methyl]-7,8-dimethyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=C(C2=C(C=C1)C3=C(N2)C(NCC3)CC4=CC(=C(C=C4)OC)OC)C

>  <Isomeric SMILES>
CC1=C(C2=C(C=C1)C3=C(N2)C(NCC3)CC4=CC(=C(C=C4)OC)OC)C

>  <InChI Std. ID>
InChI=1S/C22H26N2O2/c1-13-5-7-16-17-9-10-23-18(22(17)24-21(16)14(13)2)11-15-6-8-19(25-3)20(12-15)26-4/h5-8,12,18,23-24H,9-11H2,1-4H3

>  <InChI Key>
HRQBRNSKRJHFLA-UHFFFAOYSA-N

