(E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(6-fluoranyl-4H-1,3-benzodioxin-8-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(6-fluoro-4H-1,3-benzodioxin-8-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C19H19FN4O3 MolecularWeight: 370.377563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19FN4O3/c20-16-10-14(18-15(11-16)12-26-13-27-18)2-3-17(25)23-6-8-24(9-7-23)19-21-4-1-5-22-19/h1-5,10-11H,6-9,12-13H2/b3-2+