(5-ethanoyl-2-methoxy-phenyl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C26H22N2O5 MolecularWeight: 442.46328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22N2O5/c1-17(29)19-12-13-23(32-2)20(14-19)16-33-26(31)24-21-10-6-7-11-22(21)25(30)28(27-24)15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3