tert-butyl 4-[(1S)-2-azanyl-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(1S)-2-azanyl-1-(2-chloranyl-6-fluoranyl-phenyl)ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(1S)-2-amino-1-(2-chloro-6-fluoro-phenyl)ethyl]piperazine-1-carboxylate CAS Name: 4-[(1S)-2-amino-1-(2-chloro-6-fluorophenyl)ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(1S)-2-amino-1-(2-chloro-6-fluorophenyl)ethyl]piperazine-1-carboxylate Traditional Name: 4-[(1S)-2-amino-1-(2-chloro-6-fluoro-phenyl)ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C17H25ClFN3O2 MolecularWeight: 357.850703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(CN)C2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)[C@H](CN)C2=C(C=CC=C2Cl)F

InChI

InChI=1S/C17H25ClFN3O2/c1-17(2,3)24-16(23)22-9-7-21(8-10-22)14(11-20)15-12(18)5-4-6-13(15)19/h4-6,14H,7-11,20H2,1-3H3/t14-/m1/s1