tert-butyl 4-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperazine-1-carboxylate CAS Name: 4-(5,6,7,8-tetrahydroisoquinolin-5-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(5,6,7,8-tetrahydroisoquinolin-5-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H27N3O2 MolecularWeight: 317.42588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2CCCC3=C2C=CN=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2CCCC3=C2C=CN=C3

InChI

InChI=1S/C18H27N3O2/c1-18(2,3)23-17(22)21-11-9-20(10-12-21)16-6-4-5-14-13-19-8-7-15(14)16/h7-8,13,16H,4-6,9-12H2,1-3H3