[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H21N3O6 MolecularWeight: 411.40794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H21N3O6/c1-24-20(26)15-7-5-4-6-14(15)19(23-24)21(27)30-12-18(25)22-11-13-8-9-16(28-2)17(10-13)29-3/h4-10H,11-12H2,1-3H3,(H,22,25)