ethyl 4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[4-(3-bromanyl-4-methoxy-phenyl)carbonyl-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(3-bromo-4-methoxyphenyl)-oxomethyl]-2-fluorophenyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(3-bromo-4-methoxybenzoyl)-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-(3-bromo-4-methoxy-benzoyl)-2-fluoro-phenyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H22BrFN2O4 MolecularWeight: 465.312783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)Br)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)OC)Br)F

InChI

InChI=1S/C21H22BrFN2O4/c1-3-29-21(27)25-10-8-24(9-11-25)18-6-4-15(13-17(18)23)20(26)14-5-7-19(28-2)16(22)12-14/h4-7,12-13H,3,8-11H2,1-2H3