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

Systemtic Name: 1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-4-thiophen-2-yl-butane-1,4-dione Openeye Name: 1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-4-(2-thienyl)butane-1,4-dione CAS Name: 1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]-4-thiophen-2-ylbutane-1,4-dione IUPAC Name: 1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]-4-thiophen-2-ylbutane-1,4-dione Traditional Name: 1-[4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperazino]-4-(2-thienyl)butane-1,4-dione Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C(=O)CCC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CC=CC=C3)C(=O)CCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H22N4O3S/c26-17(18-7-4-14-29-18)8-9-20(27)25-12-10-24(11-13-25)15-19-22-21(23-28-19)16-5-2-1-3-6-16/h1-7,14H,8-13,15H2