
 CHEMBL3785839

 57 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3785839

>  <PubChem CID>
127034554

>  <Formula>
C24H29N3O

>  <Molecular Weight>
375.516000

>  <IUPAC Name>
3-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2(CCN(CC2)CC3CC4=CC=CC=C4CN3C(=O)N)C5=CC=CC=C51

>  <Isomeric SMILES>
C1CC2(CCN(CC2)CC3CC4=CC=CC=C4CN3C(=O)N)C5=CC=CC=C51

>  <InChI Std. ID>
InChI=1S/C24H29N3O/c25-23(28)27-16-20-7-2-1-6-19(20)15-21(27)17-26-13-11-24(12-14-26)10-9-18-5-3-4-8-22(18)24/h1-8,21H,9-17H2,(H2,25,28)

>  <InChI Key>
ADEPJPWGRSNLTK-UHFFFAOYSA-N

