2-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide

Systemtic Name: 2-[4-[(2-bromanyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)ethanamide Openeye Name: 2-[4-[(2-bromo-4-fluoro-phenyl)methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide CAS Name: 2-[4-[(2-bromo-4-fluorophenyl)methyl]-1-piperazinyl]-N-(2,3-dimethylphenyl)acetamide IUPAC Name: 2-[4-[(2-bromo-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide Traditional Name: 2-[4-(2-bromo-4-fluoro-benzyl)piperazino]-N-(2,3-dimethylphenyl)acetamide Formula: C21H25BrFN3O MolecularWeight: 434.345103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25BrFN3O/c1-15-4-3-5-20(16(15)2)24-21(27)14-26-10-8-25(9-11-26)13-17-6-7-18(23)12-19(17)22/h3-7,12H,8-11,13-14H2,1-2H3,(H,24,27)