ethyl 4-[3-(5-chloranyl-2-fluoranyl-phenyl)prop-2-ynyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-(5-chloranyl-2-fluoranyl-phenyl)prop-2-ynyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-(5-chloro-2-fluoro-phenyl)prop-2-ynyl]piperazine-1-carboxylate CAS Name: 4-[3-(5-chloro-2-fluorophenyl)prop-2-ynyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(5-chloro-2-fluorophenyl)prop-2-ynyl]piperazine-1-carboxylate Traditional Name: 4-[3-(5-chloro-2-fluoro-phenyl)prop-2-ynyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18ClFN2O2 MolecularWeight: 324.777723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC#CC2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC#CC2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C16H18ClFN2O2/c1-2-22-16(21)20-10-8-19(9-11-20)7-3-4-13-12-14(17)5-6-15(13)18/h5-6,12H,2,7-11H2,1H3