3-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxidanylidene-propan-2-yl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(1S)-1-methyl-2-oxo-2-(p-tolylmethylamino)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1S)-2-keto-1-methyl-2-[(4-methylbenzyl)amino]ethyl]phthalazine-1-carboxylic acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C20H19N3O4/c1-12-7-9-14(10-8-12)11-21-18(24)13(2)23-19(25)16-6-4-3-5-15(16)17(22-23)20(26)27/h3-10,13H,11H2,1-2H3,(H,21,24)(H,26,27)/t13-/m0/s1