methyl 2-[4-(4-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(4-bromanyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(4-bromo-2-fluoro-benzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(4-bromo-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(4-bromo-2-fluorobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(4-bromo-2-fluoro-benzoyl)piperazino]-2-(4-chlorophenyl)acetic acid methyl ester Formula: C20H19BrClFN2O3 MolecularWeight: 469.731863

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC(=O)C(C1=CC=C(C=C1)Cl)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H19BrClFN2O3/c1-28-20(27)18(13-2-5-15(22)6-3-13)24-8-10-25(11-9-24)19(26)16-7-4-14(21)12-17(16)23/h2-7,12,18H,8-11H2,1H3