tert-butyl 4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-(6-fluoranyl-4-oxidanylidene-quinazolin-3-yl)ethanoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(6-fluoro-4-oxo-quinazolin-3-yl)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(6-fluoro-4-oxo-3-quinazolinyl)-1-oxoethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(6-fluoro-4-keto-quinazolin-3-yl)acetyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C19H23FN4O4 MolecularWeight: 390.408723

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=C(C=C3)F

InChI

InChI=1S/C19H23FN4O4/c1-19(2,3)28-18(27)23-8-6-22(7-9-23)16(25)11-24-12-21-15-5-4-13(20)10-14(15)17(24)26/h4-5,10,12H,6-9,11H2,1-3H3