tert-butyl 4-[2-(7-bromanyl-4-fluoranyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(7-bromanyl-4-fluoranyl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxidanylidene-ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxo-acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,2-dioxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-oxoacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(7-bromo-4-fluoro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-keto-acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H20BrFN4O4 MolecularWeight: 455.278203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=O)C2=CNC3=C2C(=CN=C3Br)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)C(=O)C2=CNC3=C2C(=CN=C3Br)F

InChI

InChI=1S/C18H20BrFN4O4/c1-18(2,3)28-17(27)24-6-4-23(5-7-24)16(26)14(25)10-8-21-13-12(10)11(20)9-22-15(13)19/h8-9,21H,4-7H2,1-3H3