[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)prop-2-enoate Openeye Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoate CAS Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-2-propenoic acid [2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)prop-2-enoate Traditional Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)acrylic acid [2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl] ester Formula: C21H21FN4O5 MolecularWeight: 428.413643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)C=CC3=CC(=CC4=C3OCOC4)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)COC(=O)/C=C/C3=CC(=CC4=C3OCOC4)F

InChI

InChI=1S/C21H21FN4O5/c22-17-10-15(20-16(11-17)12-29-14-31-20)2-3-19(28)30-13-18(27)25-6-8-26(9-7-25)21-23-4-1-5-24-21/h1-5,10-11H,6-9,12-14H2/b3-2+