2-[1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine

Systemtic Name: 2-[1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine Openeye Name: 2-[[1-[[3-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]-4-piperidyl]oxy]pyrimidine CAS Name: 2-[[1-[[3-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-4-piperidinyl]oxy]pyrimidine IUPAC Name: 2-[1-[[3-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperidin-4-yl]oxypyrimidine Traditional Name: 2-[[1-[3-(4-piperidinobut-1-ynyl)benzyl]-4-piperidyl]oxy]pyrimidine Formula: C25H32N4O MolecularWeight: 404.54778

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCC(CC3)OC4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)CCC#CC2=CC(=CC=C2)CN3CCC(CC3)OC4=NC=CC=N4

InChI

InChI=1S/C25H32N4O/c1-3-15-28(16-4-1)17-5-2-8-22-9-6-10-23(20-22)21-29-18-11-24(12-19-29)30-25-26-13-7-14-27-25/h6-7,9-10,13-14,20,24H,1,3-5,11-12,15-19,21H2