2-[4-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]-N-(3-methylthiophen-2-yl)ethanamide

Systemtic Name: 2-[4-[3-(2-fluoranylphenoxy)-2-oxidanyl-propyl]-3-methyl-piperazin-1-yl]-N-(3-methylthiophen-2-yl)ethanamide Openeye Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxy-propyl]-3-methyl-piperazin-1-yl]-N-(3-methyl-2-thienyl)acetamide CAS Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxypropyl]-3-methyl-1-piperazinyl]-N-(3-methyl-2-thiophenyl)acetamide IUPAC Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxypropyl]-3-methylpiperazin-1-yl]-N-(3-methylthiophen-2-yl)acetamide Traditional Name: 2-[4-[3-(2-fluorophenoxy)-2-hydroxy-propyl]-3-methyl-piperazino]-N-(3-methyl-2-thienyl)acetamide Formula: C21H28FN3O3S MolecularWeight: 421.528723

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(COC2=CC=CC=C2F)O)CC(=O)NC3=C(C=CS3)C

Isomeric SMILES

CC1CN(CCN1CC(COC2=CC=CC=C2F)O)CC(=O)NC3=C(C=CS3)C

InChI

InChI=1S/C21H28FN3O3S/c1-15-7-10-29-21(15)23-20(27)13-24-8-9-25(16(2)11-24)12-17(26)14-28-19-6-4-3-5-18(19)22/h3-7,10,16-17,26H,8-9,11-14H2,1-2H3,(H,23,27)