1-[3-fluoranyl-4-[4-[2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[2-oxidanyl-3-(4-phenoxyphenoxy)propyl]piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]piperazino]phenyl]ethanone Formula: C27H29FN2O4 MolecularWeight: 464.528563

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC(COC3=CC=C(C=C3)OC4=CC=CC=C4)O)F

InChI

InChI=1S/C27H29FN2O4/c1-20(31)21-7-12-27(26(28)17-21)30-15-13-29(14-16-30)18-22(32)19-33-23-8-10-25(11-9-23)34-24-5-3-2-4-6-24/h2-12,17,22,32H,13-16,18-19H2,1H3