ethyl 4-[1-(5-chloranyl-2-fluoranyl-phenyl)pent-1-yn-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(5-chloranyl-2-fluoranyl-phenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(5-chloro-2-fluoro-phenyl)-1-ethyl-prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[1-(5-chloro-2-fluorophenyl)pent-1-yn-3-yl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(5-chloro-2-fluorophenyl)pent-1-yn-3-yl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-chloro-2-fluoro-phenyl)-1-ethyl-prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22ClFN2O2 MolecularWeight: 352.830883

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#CC1=C(C=CC(=C1)Cl)F)N2CCN(CC2)C(=O)OCC

Isomeric SMILES

CCC(C#CC1=C(C=CC(=C1)Cl)F)N2CCN(CC2)C(=O)OCC

InChI

InChI=1S/C18H22ClFN2O2/c1-3-16(7-5-14-13-15(19)6-8-17(14)20)21-9-11-22(12-10-21)18(23)24-4-2/h6,8,13,16H,3-4,9-12H2,1-2H3