ethyl 4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H18BrFN2O3 MolecularWeight: 385.228123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrFN2O3/c1-2-23-16(22)20-9-7-19(8-10-20)15(21)6-3-12-11-13(17)4-5-14(12)18/h3-6,11H,2,7-10H2,1H3/b6-3+