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

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

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H24N4O2S/c1-2-17(16-7-4-3-5-8-16)21(26)25-12-10-24(11-13-25)15-19-22-20(23-27-19)18-9-6-14-28-18/h3-9,14,17H,2,10-13,15H2,1H3