(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxidanylidene-3-phenyl-phthalazine-1-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-oxo-3-phenyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-phenyl-1-phthalazinecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-oxo-3-phenylphthalazine-1-carboxylate Traditional Name: 4-keto-3-phenyl-phthalazine-1-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H17N3O4 MolecularWeight: 375.37738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C21H17N3O4/c1-13-18(14(2)28-23-13)12-27-21(26)19-16-10-6-7-11-17(16)20(25)24(22-19)15-8-4-3-5-9-15/h3-11H,12H2,1-2H3