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

Systemtic Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]-N-methyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]-N-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-N-methyl-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-[2-keto-2-(veratrylamino)ethyl]-N-methyl-phthalazine-1-carboxamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CNC(=O)C1=NN(C(=O)C2=CC=CC=C21)CC(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H22N4O5/c1-22-20(27)19-14-6-4-5-7-15(14)21(28)25(24-19)12-18(26)23-11-13-8-9-16(29-2)17(10-13)30-3/h4-10H,11-12H2,1-3H3,(H,22,27)(H,23,26)