(4-bromanyl-3,5-dimethoxy-phenyl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethoxy-phenyl)-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone Openeye Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]methanone CAS Name: (4-bromo-3,5-dimethoxyphenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]methanone IUPAC Name: (4-bromo-3,5-dimethoxyphenyl)-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methanone Traditional Name: (4-bromo-3,5-dimethoxy-phenyl)-[4-(5-fluoro-2-methoxy-benzyl)piperazino]methanone Formula: C21H24BrFN2O4 MolecularWeight: 467.328663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)F)CN2CCN(CC2)C(=O)C3=CC(=C(C(=C3)OC)Br)OC

InChI

InChI=1S/C21H24BrFN2O4/c1-27-17-5-4-16(23)10-15(17)13-24-6-8-25(9-7-24)21(26)14-11-18(28-2)20(22)19(12-14)29-3/h4-5,10-12H,6-9,13H2,1-3H3