3-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]phthalazine-1-carboxylic acid Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C24H19N3O4/c1-15-11-13-17(14-12-15)25-22(28)21(16-7-3-2-4-8-16)27-23(29)19-10-6-5-9-18(19)20(26-27)24(30)31/h2-14,21H,1H3,(H,25,28)(H,30,31)/t21-/m0/s1