3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H20N4O4/c1-23(2)14-9-7-13(8-10-14)11-21-17(25)12-24-19(26)16-6-4-3-5-15(16)18(22-24)20(27)28/h3-10H,11-12H2,1-2H3,(H,21,25)(H,27,28)