tert-butyl 4-[3-bromanyl-1-[(3-fluorophenyl)methyl]-2-oxidanylidene-pyridin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-bromanyl-1-[(3-fluorophenyl)methyl]-2-oxidanylidene-pyridin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridyl]piperazine-1-carboxylate CAS Name: 4-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxo-4-pyridinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-bromo-1-[(3-fluorophenyl)methyl]-2-oxopyridin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[3-bromo-1-(3-fluorobenzyl)-2-keto-4-pyridyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H25BrFN3O3 MolecularWeight: 466.343903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrFN3O3/c1-21(2,3)29-20(28)25-11-9-24(10-12-25)17-7-8-26(19(27)18(17)22)14-15-5-4-6-16(23)13-15/h4-8,13H,9-12,14H2,1-3H3