tert-butyl 4-[3-[(5-chloranyl-2-fluoranyl-phenyl)carbonylamino]propyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(5-chloranyl-2-fluoranyl-phenyl)carbonylamino]propyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(5-chloro-2-fluoro-benzoyl)amino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-[[(5-chloro-2-fluorophenyl)-oxomethyl]amino]propyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(5-chloro-2-fluorobenzoyl)amino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(5-chloro-2-fluoro-benzoyl)amino]propyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H27ClFN3O3 MolecularWeight: 399.887383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CCCNC(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C19H27ClFN3O3/c1-19(2,3)27-18(26)24-11-9-23(10-12-24)8-4-7-22-17(25)15-13-14(20)5-6-16(15)21/h5-6,13H,4,7-12H2,1-3H3,(H,22,25)