tert-butyl 4-(3-azanyl-5-fluoranyl-1,2-benzoxazol-6-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(3-azanyl-5-fluoranyl-1,2-benzoxazol-6-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(3-amino-5-fluoro-1,2-benzoxazol-6-yl)piperazine-1-carboxylate CAS Name: 4-(3-amino-5-fluoro-1,2-benzoxazol-6-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-amino-5-fluoro-1,2-benzoxazol-6-yl)piperazine-1-carboxylate Traditional Name: 4-(3-amino-5-fluoro-indoxazen-6-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C16H21FN4O3 MolecularWeight: 336.361343

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)ON=C3N)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)ON=C3N)F

InChI

InChI=1S/C16H21FN4O3/c1-16(2,3)23-15(22)21-6-4-20(5-7-21)12-9-13-10(8-11(12)17)14(18)19-24-13/h8-9H,4-7H2,1-3H3,(H2,18,19)