2-[[1-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methyl]phenalene-1,3-dione

Systemtic Name: 2-[[1-[3-(4-fluoranylphenoxy)-2-oxidanyl-propyl]piperidin-4-yl]methyl]phenalene-1,3-dione Openeye Name: 2-[[1-[3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-piperidyl]methyl]phenalene-1,3-dione CAS Name: 2-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]-4-piperidinyl]methyl]phenalene-1,3-dione IUPAC Name: 2-[[1-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidin-4-yl]methyl]phenalene-1,3-dione Traditional Name: 2-[[1-[3-(4-fluorophenoxy)-2-hydroxy-propyl]-4-piperidyl]methyl]phenalene-1,3-quinone Formula: C28H28FNO4 MolecularWeight: 461.524623

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC=C(C=C5)F)O

Isomeric SMILES

C1CN(CCC1CC2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC=C(C=C5)F)O

InChI

InChI=1S/C28H28FNO4/c29-20-7-9-22(10-8-20)34-17-21(31)16-30-13-11-18(12-14-30)15-25-27(32)23-5-1-3-19-4-2-6-24(26(19)23)28(25)33/h1-10,18,21,25,31H,11-17H2