tert-butyl 4-[2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-fluoranyl-3-methyl-phenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-fluoro-3-methyl-phenyl)methylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluoro-3-methyl-benzyl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H28FN3O3 MolecularWeight: 365.442323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CN2CCN(CC2)C(=O)OC(C)(C)C)F

InChI

InChI=1S/C19H28FN3O3/c1-14-11-15(5-6-16(14)20)12-21-17(24)13-22-7-9-23(10-8-22)18(25)26-19(2,3)4/h5-6,11H,7-10,12-13H2,1-4H3,(H,21,24)