5-bromanyl-2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione

Systemtic Name: 5-bromanyl-2-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]isoindole-1,3-dione Openeye Name: 5-bromo-2-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 5-bromo-2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazinyl]-2-oxoethyl]isoindole-1,3-dione IUPAC Name: 5-bromo-2-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione Traditional Name: 5-bromo-2-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazino]-2-keto-ethyl]isoindoline-1,3-quinone Formula: C22H21BrFN3O4 MolecularWeight: 490.322243

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br)F

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)CN3C(=O)C4=C(C3=O)C=C(C=C4)Br)F

InChI

InChI=1S/C22H21BrFN3O4/c1-31-19-5-2-14(10-18(19)24)12-25-6-8-26(9-7-25)20(28)13-27-21(29)16-4-3-15(23)11-17(16)22(27)30/h2-5,10-11H,6-9,12-13H2,1H3