tert-butyl 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[[4-[4-(1-piperidyl)but-1-ynyl]phenyl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-[4-(1-piperidinyl)but-1-ynyl]phenyl]methyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(4-piperidin-1-ylbut-1-ynyl)phenyl]methyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-piperidinobut-1-ynyl)benzyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C25H37N3O2 MolecularWeight: 411.58018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#CCCN3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC=C(C=C2)C#CCCN3CCCCC3

InChI

InChI=1S/C25H37N3O2/c1-25(2,3)30-24(29)28-19-17-27(18-20-28)21-23-12-10-22(11-13-23)9-5-8-16-26-14-6-4-7-15-26/h10-13H,4,6-8,14-21H2,1-3H3