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1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]-1-azacyclotridecane
1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]-1-azacyclotridecane
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCCCCN(CCCCC1)CC2=CC=CC(=C2)C#CCCN3CCCCC3
Isomeric SMILES
C1CCCCCCN(CCCCC1)CC2=CC=CC(=C2)C#CCCN3CCCCC3
InChI
InChI=1S/C28H44N2/c1-2-4-6-8-12-24-30(23-11-7-5-3-1)26-28-19-16-18-27(25-28)17-10-15-22-29-20-13-9-14-21-29/h16,18-19,25H,1-9,11-15,20-24,26H2
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