1-tert-butyl-4-isoquinolin-1-yl-piperazine-2-carboxylate

Systemtic Name: 1-tert-butyl-4-isoquinolin-1-yl-piperazine-2-carboxylate Openeye Name: 1-tert-butyl-4-(1-isoquinolyl)piperazine-2-carboxylate CAS Name: 1-tert-butyl-4-(1-isoquinolinyl)-2-piperazinecarboxylate IUPAC Name: 1-tert-butyl-4-isoquinolin-1-ylpiperazine-2-carboxylate Traditional Name: 1-tert-butyl-4-(1-isoquinolyl)piperazine-2-carboxylate Formula: C18H22N3O2- MolecularWeight: 312.38618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CCN(CC1C(=O)[O-])C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)N1CCN(CC1C(=O)[O-])C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C18H23N3O2/c1-18(2,3)21-11-10-20(12-15(21)17(22)23)16-14-7-5-4-6-13(14)8-9-19-16/h4-9,15H,10-12H2,1-3H3,(H,22,23)/p-1