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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=N1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC(C)C1=NOC(=N1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

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