1-[4-[6-(2-chloranyl-4-fluoranyl-phenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[4-[6-(2-chloranyl-4-fluoranyl-phenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[4-[6-(2-chloro-4-fluoro-phenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxy-ethanone CAS Name: 1-[4-[6-(2-chloro-4-fluorophenoxy)-4-pyrimidinyl]-1-piperazinyl]-2-phenoxyethanone IUPAC Name: 1-[4-[6-(2-chloro-4-fluorophenoxy)pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[4-[6-(2-chloro-4-fluoro-phenoxy)pyrimidin-4-yl]piperazino]-2-phenoxy-ethanone Formula: C22H20ClFN4O3 MolecularWeight: 442.870603

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=NC=N2)OC3=C(C=C(C=C3)F)Cl)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=NC=N2)OC3=C(C=C(C=C3)F)Cl)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C22H20ClFN4O3/c23-18-12-16(24)6-7-19(18)31-21-13-20(25-15-26-21)27-8-10-28(11-9-27)22(29)14-30-17-4-2-1-3-5-17/h1-7,12-13,15H,8-11,14H2