tert-butyl 4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(8-nitro-5-isoquinolyl)piperazine-1-carboxylate CAS Name: 4-(8-nitro-5-isoquinolinyl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(8-nitroisoquinolin-5-yl)piperazine-1-carboxylate Traditional Name: 4-(8-nitro-5-isoquinolyl)piperazine-1-carboxylic acid tert-butyl ester Formula: C18H22N4O4 MolecularWeight: 358.39168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O4/c1-18(2,3)26-17(23)21-10-8-20(9-11-21)15-4-5-16(22(24)25)14-12-19-7-6-13(14)15/h4-7,12H,8-11H2,1-3H3