methyl 2-[4-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate

Systemtic Name: methyl 2-[4-(3-bromanyl-5-fluoranyl-phenyl)carbonylpiperazin-1-yl]-2-(4-chlorophenyl)ethanoate Openeye Name: methyl 2-[4-(3-bromo-5-fluoro-benzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate CAS Name: 2-[4-[(3-bromo-5-fluorophenyl)-oxomethyl]-1-piperazinyl]-2-(4-chlorophenyl)acetic acid methyl ester IUPAC Name: methyl 2-[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]-2-(4-chlorophenyl)acetate Traditional Name: 2-[4-(3-bromo-5-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=CC(=CC(=C3)Br)F

Isomeric SMILES

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

InChI

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