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

Systemtic Name: 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonyl-3,4-dihydroisochromen-1-one Openeye Name: 3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]isochroman-1-one CAS Name: 3-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]methyl]-3,4-dihydro-1H-2-benzopyran-1-one IUPAC Name: 3-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-3,4-dihydroisochromen-1-one Traditional Name: 3-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]isochroman-1-one Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4CC5=CC=CC=C5C(=O)O4

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4CC5=CC=CC=C5C(=O)O4

InChI

InChI=1S/C21H20N4O4S/c26-20(16-12-14-4-1-2-5-15(14)21(27)28-16)25-9-7-24(8-10-25)13-18-22-19(23-29-18)17-6-3-11-30-17/h1-6,11,16H,7-10,12-13H2