10-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]-1,4,7-trioxa-10-azacyclododecane

Systemtic Name: 10-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]-1,4,7-trioxa-10-azacyclododecane Openeye Name: 10-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]-1,4,7-trioxa-10-azacyclododecane CAS Name: 10-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-1,4,7-trioxa-10-azacyclododecane IUPAC Name: 10-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]-1,4,7-trioxa-10-azacyclododecane Traditional Name: 10-[3-(4-piperidinobut-1-ynyl)benzyl]-1,4,7-trioxa-10-azacyclododecane Formula: C24H36N2O3 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCOCCOCCOCC3

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCOCCOCCOCC3

InChI

InChI=1S/C24H36N2O3/c1-3-10-25(11-4-1)12-5-2-7-23-8-6-9-24(21-23)22-26-13-15-27-17-19-29-20-18-28-16-14-26/h6,8-9,21H,1,3-5,10-20,22H2