3-[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-(1-naphthalen-1-ylethylamino)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[1-(1-naphthyl)ethylamino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[1-(1-naphthalenyl)ethylamino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-(1-naphthalen-1-ylethylamino)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[1-(1-naphthyl)ethylamino]ethyl]phthalazine-1-carboxylic acid Formula: C23H19N3O4 MolecularWeight: 401.41466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC(C1=CC=CC2=CC=CC=C21)NC(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C23H19N3O4/c1-14(16-12-6-8-15-7-2-3-9-17(15)16)24-20(27)13-26-22(28)19-11-5-4-10-18(19)21(25-26)23(29)30/h2-12,14H,13H2,1H3,(H,24,27)(H,29,30)