3-[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(1R)-1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[(1R)-2-oxo-1,2-bis(p-tolyl)ethyl]phthalazine-1-carboxylic acid CAS Name: 3-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(1R)-2-keto-1,2-bis(p-tolyl)ethyl]phthalazine-1-carboxylic acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4/c1-15-7-11-17(12-8-15)22(23(28)18-13-9-16(2)10-14-18)27-24(29)20-6-4-3-5-19(20)21(26-27)25(30)31/h3-14,22H,1-2H3,(H,30,31)/t22-/m1/s1