(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C23H22N4O4/c1-23(2,3)22-24-18(31-26-22)14-30-21(29)19-16-11-7-8-12-17(16)20(28)27(25-19)13-15-9-5-4-6-10-15/h4-12H,13-14H2,1-3H3