5-bromanyl-2-[[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one

Systemtic Name: 5-bromanyl-2-[[1-[2-(4-fluoranylphenoxy)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Openeye Name: 5-bromo-2-[[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]methyl]isoindolin-1-one CAS Name: 5-bromo-2-[[1-[2-(4-fluorophenoxy)ethyl]-4-piperidinyl]methyl]-3H-isoindol-1-one IUPAC Name: 5-bromo-2-[[1-[2-(4-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one Traditional Name: 5-bromo-2-[[1-[2-(4-fluorophenoxy)ethyl]-4-piperidyl]methyl]isoindolin-1-one Formula: C22H24BrFN2O2 MolecularWeight: 447.340563

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2CC3=C(C2=O)C=CC(=C3)Br)CCOC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCC1CN2CC3=C(C2=O)C=CC(=C3)Br)CCOC4=CC=C(C=C4)F

InChI

InChI=1S/C22H24BrFN2O2/c23-18-1-6-21-17(13-18)15-26(22(21)27)14-16-7-9-25(10-8-16)11-12-28-20-4-2-19(24)3-5-20/h1-6,13,16H,7-12,14-15H2