N-(4-bromanyl-2-methyl-phenyl)-2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-2-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide CAS Name: N-(4-bromo-2-methylphenyl)-2-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(4-bromo-2-methylphenyl)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-2-[4-(4-fluorobenzoyl)piperazino]acetamide Formula: C20H21BrFN3O2 MolecularWeight: 434.302043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrFN3O2/c1-14-12-16(21)4-7-18(14)23-19(26)13-24-8-10-25(11-9-24)20(27)15-2-5-17(22)6-3-15/h2-7,12H,8-11,13H2,1H3,(H,23,26)