3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one

Systemtic Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one Openeye Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one CAS Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one IUPAC Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one Traditional Name: 3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-5-phenyl-1,3,4-oxadiazol-2-one Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)OC(=N3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C(=O)CN3C(=O)OC(=N3)C4=CC=CC=C4)OC

InChI

InChI=1S/C21H21N3O5/c1-27-17-10-15-8-9-23(12-16(15)11-18(17)28-2)19(25)13-24-21(26)29-20(22-24)14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3