3-oxidanylidenebutan-2-yl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: 3-oxidanylidenebutan-2-yl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (1-methyl-2-oxo-propyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid 3-oxobutan-2-yl ester IUPAC Name: 3-oxobutan-2-yl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-keto-1-methyl-propyl) ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C)OC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4/c1-13(23)14(2)26-20(25)18-16-10-6-7-11-17(16)19(24)22(21-18)12-15-8-4-3-5-9-15/h3-11,14H,12H2,1-2H3