[1-(4-methylpiperazin-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-bromanylbenzoate

Systemtic Name: [1-(4-methylpiperazin-1-yl)-2-(2-oxidanylidenepyridin-1-yl)ethenyl] 4-bromanylbenzoate Openeye Name: [1-(4-methylpiperazin-1-yl)-2-(2-oxo-1-pyridyl)vinyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [1-(4-methyl-1-piperazinyl)-2-(2-oxo-1-pyridinyl)ethenyl] ester IUPAC Name: [1-(4-methylpiperazin-1-yl)-2-(2-oxopyridin-1-yl)ethenyl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [2-(2-keto-1-pyridyl)-1-(4-methylpiperazino)vinyl] ester Formula: C19H20BrN3O3 MolecularWeight: 418.2844

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1CCN(CC1)C(=CN2C=CC=CC2=O)OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C19H20BrN3O3/c1-21-10-12-22(13-11-21)18(14-23-9-3-2-4-17(23)24)26-19(25)15-5-7-16(20)8-6-15/h2-9,14H,10-13H2,1H3