
 CHEMBL170674

 77 80  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL170674

>  <PubChem CID>
44380305

>  <Formula>
C28H45N3O

>  <Molecular Weight>
439.688000

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

>  <XlogP>
7.900

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CCCCCCCC(CCCCCC1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

>  <Isomeric SMILES>
C1CCCCCCCC(CCCCCC1)N2CCC3(CC2)C(=O)NCN3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C28H45N3O/c32-27-28(31(24-29-27)26-18-14-11-15-19-26)20-22-30(23-21-28)25-16-12-9-7-5-3-1-2-4-6-8-10-13-17-25/h11,14-15,18-19,25H,1-10,12-13,16-17,20-24H2,(H,29,32)

>  <InChI Key>
TWCNPRKIXIASRN-UHFFFAOYSA-N

