ethyl 4-(4-butanoyl-2-fluoranyl-phenyl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-butanoyl-2-fluoranyl-phenyl)piperazine-1-carboxylate Openeye Name: ethyl 4-(4-butanoyl-2-fluoro-phenyl)piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-(1-oxobutyl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-butanoyl-2-fluorophenyl)piperazine-1-carboxylate Traditional Name: 4-(4-butyryl-2-fluoro-phenyl)piperazine-1-carboxylic acid ethyl ester Formula: C17H23FN2O3 MolecularWeight: 322.374523

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC)F

Isomeric SMILES

CCCC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)OCC)F

InChI

InChI=1S/C17H23FN2O3/c1-3-5-16(21)13-6-7-15(14(18)12-13)19-8-10-20(11-9-19)17(22)23-4-2/h6-7,12H,3-5,8-11H2,1-2H3