2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide

Systemtic Name: 2-[4-[(5-bromanylthiophen-2-yl)methyl]piperazin-1-yl]-N-[(3-fluoranyl-4-methyl-phenyl)methyl]ethanamide Openeye Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazin-1-yl]-N-[(3-fluoro-4-methyl-phenyl)methyl]acetamide CAS Name: 2-[4-[(5-bromo-2-thiophenyl)methyl]-1-piperazinyl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide IUPAC Name: 2-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-N-[(3-fluoro-4-methylphenyl)methyl]acetamide Traditional Name: 2-[4-[(5-bromo-2-thienyl)methyl]piperazino]-N-(3-fluoro-4-methyl-benzyl)acetamide Formula: C19H23BrFN3OS MolecularWeight: 440.372823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)CC3=CC=C(S3)Br)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)CN2CCN(CC2)CC3=CC=C(S3)Br)F

InChI

InChI=1S/C19H23BrFN3OS/c1-14-2-3-15(10-17(14)21)11-22-19(25)13-24-8-6-23(7-9-24)12-16-4-5-18(20)26-16/h2-5,10H,6-9,11-13H2,1H3,(H,22,25)