
 CHEMBL165885

 53 56  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL165885

>  <PubChem CID>
19347346

>  <Formula>
C20H29N3O

>  <Molecular Weight>
327.472000

>  <IUPAC Name>
8-cycloheptyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

>  <XlogP>
3.600

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCCC(CC1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

>  <Isomeric SMILES>
C1CCCC(CC1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H29N3O/c24-19-20(23(16-21-19)18-10-6-3-7-11-18)12-14-22(15-13-20)17-8-4-1-2-5-9-17/h3,6-7,10-11,17H,1-2,4-5,8-9,12-16H2,(H,21,24)

>  <InChI Key>
RGDIYOGVVZQMPX-UHFFFAOYSA-N

