prop-2-ynyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: prop-2-ynyl 4-[4-[2-(acetamidomethyl)-5-oxidanylidene-1,2-oxazol-4-yl]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: prop-2-ynyl 4-[4-[2-(acetamidomethyl)-5-oxo-isoxazol-4-yl]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[2-(acetamidomethyl)-5-oxo-4-isoxazolyl]-2-fluorophenyl]-1-piperazinecarboxylic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 4-[4-[2-(acetamidomethyl)-5-oxo-1,2-oxazol-4-yl]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[2-(acetamidomethyl)-5-keto-3-isoxazolin-4-yl]-2-fluoro-phenyl]piperazine-1-carboxylic acid propargyl ester Formula: C20H21FN4O5 MolecularWeight: 416.402943

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC#C)F

Isomeric SMILES

CC(=O)NCN1C=C(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)OCC#C)F

InChI

InChI=1S/C20H21FN4O5/c1-3-10-29-20(28)24-8-6-23(7-9-24)18-5-4-15(11-17(18)21)16-12-25(30-19(16)27)13-22-14(2)26/h1,4-5,11-12H,6-10,13H2,2H3,(H,22,26)