2-[3-[4-(5-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-[4-(5-fluoranyl-2-methoxy-phenyl)piperazin-1-yl]-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-[4-(5-fluoro-2-methoxy-phenyl)piperazin-1-yl]-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-[4-(5-fluoro-2-methoxyphenyl)-1-piperazinyl]-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-[4-(5-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[3-[4-(5-fluoro-2-methoxy-phenyl)piperazino]-2-hydroxy-propyl]isoindoline-1,3-quinone Formula: C22H24FN3O4 MolecularWeight: 413.442063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)F)N2CCN(CC2)CC(CN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C22H24FN3O4/c1-30-20-7-6-15(23)12-19(20)25-10-8-24(9-11-25)13-16(27)14-26-21(28)17-4-2-3-5-18(17)22(26)29/h2-7,12,16,27H,8-11,13-14H2,1H3