N-(2-bromanyl-4-methyl-phenyl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanamide

Systemtic Name: N-(2-bromanyl-4-methyl-phenyl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-(2-bromo-4-methyl-phenyl)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-yl]acetamide CAS Name: N-(2-bromo-4-methylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-bromo-4-methylphenyl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]acetamide Traditional Name: N-(2-bromo-4-methyl-phenyl)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazino]acetamide Formula: C21H25BrFN3O2 MolecularWeight: 450.344503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=C(C=CC(=C3)F)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CN2CCN(CC2)CC3=C(C=CC(=C3)F)OC)Br

InChI

InChI=1S/C21H25BrFN3O2/c1-15-3-5-19(18(22)11-15)24-21(27)14-26-9-7-25(8-10-26)13-16-12-17(23)4-6-20(16)28-2/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,24,27)