2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide CAS Name: 2-(2-bromo-4-fluorophenoxy)-N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]propanamide IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]propanamide Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-N-[3-[4-(2-pyrimidyl)piperazino]propyl]propionamide Formula: C20H25BrFN5O2 MolecularWeight: 466.347203

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)OC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC(C(=O)NCCCN1CCN(CC1)C2=NC=CC=N2)OC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H25BrFN5O2/c1-15(29-18-5-4-16(22)14-17(18)21)19(28)23-8-3-9-26-10-12-27(13-11-26)20-24-6-2-7-25-20/h2,4-7,14-15H,3,8-13H2,1H3,(H,23,28)