
 SCHEMBL8092935

 54 59  0  0  0  0  0  0  0  0999 V2000
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    2.5202    2.1015   -0.4000 H   0  0  0  0  0
    2.2479   -1.6629    1.4776 H   0  0  0  0  0
    2.3127   -1.6592   -0.2363 H   0  0  0  0  0
    0.0611   -2.0824    0.2354 H   0  0  0  0  0
    0.0626   -0.9998    1.6003 H   0  0  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL8092935

>  <PubChem CID>
15512228

>  <Formula>
C25H25N3O

>  <Molecular Weight>
383.495000

>  <IUPAC Name>
8-[(1S)-1,2-dihydroacenaphthylen-1-yl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)C4CC5=CC=CC6=C5C4=CC=C6

>  <Isomeric SMILES>
C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)[C@H]4CC5=CC=CC6=C5C4=CC=C6

>  <InChI Std. ID>
InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m0/s1

>  <InChI Key>
BBOAHBVXCYBKLC-QFIPXVFZSA-N

