diethyl 2-[[(4-fluoranyl-3-piperazin-1-yl-phenyl)amino]methylidene]propanedioate

Systemtic Name: diethyl 2-[[(4-fluoranyl-3-piperazin-1-yl-phenyl)amino]methylidene]propanedioate Openeye Name: diethyl 2-[(4-fluoro-3-piperazin-1-yl-anilino)methylene]propanedioate CAS Name: 2-[[4-fluoro-3-(1-piperazinyl)anilino]methylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(4-fluoro-3-piperazin-1-ylanilino)methylidene]propanedioate Traditional Name: 2-[(4-fluoro-3-piperazino-anilino)methylene]malonic acid diethyl ester Formula: C18H24FN3O4 MolecularWeight: 365.399263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1=CC(=C(C=C1)F)N2CCNCC2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=CNC1=CC(=C(C=C1)F)N2CCNCC2)C(=O)OCC

InChI

InChI=1S/C18H24FN3O4/c1-3-25-17(23)14(18(24)26-4-2)12-21-13-5-6-15(19)16(11-13)22-9-7-20-8-10-22/h5-6,11-12,20-21H,3-4,7-10H2,1-2H3