[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-methylfuran-2-carboxylate

Systemtic Name: [2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 5-methylfuran-2-carboxylate Openeye Name: [2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 5-methylfuran-2-carboxylate CAS Name: 5-methyl-2-furancarboxylic acid [2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 5-methylfuran-2-carboxylate Traditional Name: 5-methylfuran-2-carboxylic acid [2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethyl] ester Formula: C19H20ClFN2O4 MolecularWeight: 394.824503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=CC=C(O1)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H20ClFN2O4/c1-13-5-6-17(27-13)19(25)26-12-18(24)23-9-7-22(8-10-23)11-14-15(20)3-2-4-16(14)21/h2-6H,7-12H2,1H3