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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CN(CCN1C(=O)[O-])C2=NC=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)C1CN(CCN1C(=O)[O-])C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C18H23N3O2/c1-18(2,3)15-12-20(10-11-21(15)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