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

Systemtic Name: 3-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one Openeye Name: 3-phenyl-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]butan-1-one CAS Name: 3-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]-1-butanone IUPAC Name: 3-phenyl-1-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]butan-1-one Traditional Name: 3-phenyl-1-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazino]butan-1-one Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(CC(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-16(17-6-3-2-4-7-17)14-20(26)25-11-9-24(10-12-25)15-19-22-21(23-27-19)18-8-5-13-28-18/h2-8,13,16H,9-12,14-15H2,1H3