dimethyl 5-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-benzyl-4-oxo-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[oxo-[4-oxo-3-(phenylmethyl)-1-phthalazinyl]methyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3-benzyl-4-oxophthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-benzyl-4-keto-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C26H21N3O6 MolecularWeight: 471.46144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21N3O6/c1-34-25(32)17-12-18(26(33)35-2)14-19(13-17)27-23(30)22-20-10-6-7-11-21(20)24(31)29(28-22)15-16-8-4-3-5-9-16/h3-14H,15H2,1-2H3,(H,27,30)