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

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-(2-phenylethanoylamino)phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-[(1-oxo-2-phenylethyl)amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-fluoro-4-[(2-phenylacetyl)amino]phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C23H28FN3O3 MolecularWeight: 413.485123

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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)CC3=CC=CC=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C23H28FN3O3/c1-23(2,3)30-22(29)27-13-11-26(12-14-27)20-10-9-18(16-19(20)24)25-21(28)15-17-7-5-4-6-8-17/h4-10,16H,11-15H2,1-3H3,(H,25,28)