(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-isopropyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propan-2-yl-1-phthalazinecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate Traditional Name: 3-isopropyl-4-keto-phthalazine-1-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C21H18N4O4 MolecularWeight: 390.39202

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=NN=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O4/c1-13(2)25-20(26)16-11-7-6-10-15(16)18(24-25)21(27)28-12-17-22-23-19(29-17)14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3