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

Systemtic Name: diethyl 5-[[4-oxidanylidene-3-(phenylmethyl)phthalazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C28H25N3O6 MolecularWeight: 499.5146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C28H25N3O6/c1-3-36-27(34)19-14-20(28(35)37-4-2)16-21(15-19)29-25(32)24-22-12-8-9-13-23(22)26(33)31(30-24)17-18-10-6-5-7-11-18/h5-16H,3-4,17H2,1-2H3,(H,29,32)