[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [2-oxo-2-(4-phenyl-1-piperazinyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-keto-2-(4-phenylpiperazino)ethyl] ester Formula: C21H20BrFN2O3 MolecularWeight: 447.297503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)C=CC3=C(C=CC(=C3)Br)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)COC(=O)/C=C/C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C21H20BrFN2O3/c22-17-7-8-19(23)16(14-17)6-9-21(27)28-15-20(26)25-12-10-24(11-13-25)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2/b9-6+