tert-butyl 4-isoquinolin-4-ylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-isoquinolin-4-ylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-(4-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(4-isoquinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-isoquinolin-4-ylpiperazine-1-carboxylate Traditional Name: 4-(4-isoquinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H23N3O2 MolecularWeight: 313.39412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=CC3=CC=CC=C32

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=CC3=CC=CC=C32

InChI

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