tert-butyl 4-[4-(4-bromanylbutanoylamino)-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(4-bromanylbutanoylamino)-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-bromobutanoylamino)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(4-bromo-1-oxobutyl)amino]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(4-bromobutanoylamino)-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(4-bromobutanoylamino)-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27BrFN3O3 MolecularWeight: 444.338383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCCBr)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCCBr)F

InChI

InChI=1S/C19H27BrFN3O3/c1-19(2,3)27-18(26)24-11-9-23(10-12-24)16-7-6-14(13-15(16)21)22-17(25)5-4-8-20/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,25)