[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Openeye Name: [2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl] (E)-3-(3-bromophenyl)prop-2-enoate CAS Name: (E)-3-(3-bromophenyl)-2-propenoic acid [2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl] (E)-3-(3-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(3-bromophenyl)acrylic acid [2-keto-2-[4-(2-pyridyl)piperazino]ethyl] ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C(=O)COC(=O)/C=C/C3=CC(=CC=C3)Br

InChI

InChI=1S/C20H20BrN3O3/c21-17-5-3-4-16(14-17)7-8-20(26)27-15-19(25)24-12-10-23(11-13-24)18-6-1-2-9-22-18/h1-9,14H,10-13,15H2/b8-7+