2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(4-p-anisyl-1,4-diazepan-1-yl)ethanone Formula: C21H24BrFN2O3 MolecularWeight: 451.329263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C21H24BrFN2O3/c1-27-18-6-3-16(4-7-18)14-24-9-2-10-25(12-11-24)21(26)15-28-20-8-5-17(22)13-19(20)23/h3-8,13H,2,9-12,14-15H2,1H3