4-(4-bromanylphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one

Systemtic Name: 4-(4-bromanylphenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 4-(4-bromophenoxy)-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one CAS Name: 4-(4-bromophenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-(4-bromophenoxy)-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 4-(4-bromophenoxy)-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]butan-1-one Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)CCCOC4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)CCCOC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN4O3S/c22-16-5-7-17(8-6-16)28-13-1-4-20(27)26-11-9-25(10-12-26)15-19-23-21(24-29-19)18-3-2-14-30-18/h2-3,5-8,14H,1,4,9-13,15H2