4-pyrimidin-2-yl-N-[2,2,4,4-tetrakis(fluoranyl)-1,3-benzodioxin-6-yl]piperazine-1-carboxamide

Systemtic Name: 4-pyrimidin-2-yl-N-[2,2,4,4-tetrakis(fluoranyl)-1,3-benzodioxin-6-yl]piperazine-1-carboxamide Openeye Name: 4-pyrimidin-2-yl-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide CAS Name: 4-(2-pyrimidinyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)-1-piperazinecarboxamide IUPAC Name: 4-pyrimidin-2-yl-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide Traditional Name: 4-(2-pyrimidyl)-N-(2,2,4,4-tetrafluoro-1,3-benzodioxin-6-yl)piperazine-1-carboxamide Formula: C17H15F4N5O3 MolecularWeight: 413.326313

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OC(OC4(F)F)(F)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)NC3=CC4=C(C=C3)OC(OC4(F)F)(F)F

InChI

InChI=1S/C17H15F4N5O3/c18-16(19)12-10-11(2-3-13(12)28-17(20,21)29-16)24-15(27)26-8-6-25(7-9-26)14-22-4-1-5-23-14/h1-5,10H,6-9H2,(H,24,27)