tert-butyl 4-(1-pyridin-2-ylbut-3-yn-2-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(1-pyridin-2-ylbut-3-yn-2-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-pyridylmethyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-(2-pyridinyl)but-3-yn-2-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1-pyridin-2-ylbut-3-yn-2-yl)piperazine-1-carboxylate Traditional Name: 4-[1-(2-pyridylmethyl)prop-2-ynyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H25N3O2 MolecularWeight: 315.41

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(CC2=CC=CC=N2)C#C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(CC2=CC=CC=N2)C#C

InChI

InChI=1S/C18H25N3O2/c1-5-16(14-15-8-6-7-9-19-15)20-10-12-21(13-11-20)17(22)23-18(2,3)4/h1,6-9,16H,10-14H2,2-4H3