tert-butyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H26FN3O3 MolecularWeight: 351.415743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NCC2=CC=C(C=C2)F

InChI

InChI=1S/C18H26FN3O3/c1-18(2,3)25-17(24)22-10-8-21(9-11-22)13-16(23)20-12-14-4-6-15(19)7-5-14/h4-7H,8-13H2,1-3H3,(H,20,23)