2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]ethanamide Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[3-[4-(m-tolyl)piperazin-1-yl]propyl]acetamide CAS Name: 2-(4-bromo-2-fluorophenoxy)-N-[3-[4-(3-methylphenyl)-1-piperazinyl]propyl]acetamide IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-N-[3-[4-(m-tolyl)piperazino]propyl]acetamide Formula: C22H27BrFN3O2 MolecularWeight: 464.371083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)CCCNC(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H27BrFN3O2/c1-17-4-2-5-19(14-17)27-12-10-26(11-13-27)9-3-8-25-22(28)16-29-21-7-6-18(23)15-20(21)24/h2,4-7,14-15H,3,8-13,16H2,1H3,(H,25,28)