ethyl 4-[3-bromanyl-4-chloranyl-5-(1-fluoranylpropyl)phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-bromanyl-4-chloranyl-5-(1-fluoranylpropyl)phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylate CAS Name: 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylate Traditional Name: 4-[3-bromo-4-chloro-5-(1-fluoropropyl)phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H21BrClFN2O2 MolecularWeight: 407.705543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)C(=O)OCC)F

Isomeric SMILES

CCC(C1=CC(=CC(=C1Cl)Br)N2CCN(CC2)C(=O)OCC)F

InChI

InChI=1S/C16H21BrClFN2O2/c1-3-14(19)12-9-11(10-13(17)15(12)18)20-5-7-21(8-6-20)16(22)23-4-2/h9-10,14H,3-8H2,1-2H3