diethyl 2-[[[6-(4-ethanoylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[[6-(4-ethanoylpiperazin-1-yl)-5-fluoranyl-pyridin-2-yl]amino]methylidene]propanedioate Openeye Name: diethyl 2-[[[6-(4-acetylpiperazin-1-yl)-5-fluoro-2-pyridyl]amino]methylene]propanedioate CAS Name: 2-[[[6-(4-acetyl-1-piperazinyl)-5-fluoro-2-pyridinyl]amino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[[6-(4-acetylpiperazin-1-yl)-5-fluoropyridin-2-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(4-acetylpiperazino)-5-fluoro-2-pyridyl]amino]methylene]malonic acid diethyl ester Formula: C19H25FN4O5 MolecularWeight: 408.424003

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=NC(=C(C=C1)F)N2CCN(CC2)C(=O)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=NC(=C(C=C1)F)N2CCN(CC2)C(=O)C)C(=O)OCC

InChI

InChI=1S/C19H25FN4O5/c1-4-28-18(26)14(19(27)29-5-2)12-21-16-7-6-15(20)17(22-16)24-10-8-23(9-11-24)13(3)25/h6-7,12H,4-5,8-11H2,1-3H3,(H,21,22)