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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

InChI

InChI=1S/C23H23N3O6/c1-4-5-10-26-21(28)18-9-7-6-8-17(18)19(25-26)20(27)24-16-12-14(22(29)31-2)11-15(13-16)23(30)32-3/h6-9,11-13H,4-5,10H2,1-3H3,(H,24,27)