dimethyl 5-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H23N3O6 MolecularWeight: 437.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H23N3O6/c1-13(2)12-26-21(28)18-8-6-5-7-17(18)19(25-26)20(27)24-16-10-14(22(29)31-3)9-15(11-16)23(30)32-4/h5-11,13H,12H2,1-4H3,(H,24,27)