[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-methyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-methyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-methyl-4-oxo-1-phthalazinecarboxylic acid [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-methyl-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-methyl-phthalazine-1-carboxylic acid [(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C26H23N3O4 MolecularWeight: 441.47852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=NN(C(=O)C4=CC=CC=C43)C)C

InChI

InChI=1S/C26H23N3O4/c1-16-13-17(2)15-19(14-16)27-24(30)23(18-9-5-4-6-10-18)33-26(32)22-20-11-7-8-12-21(20)25(31)29(3)28-22/h4-15,23H,1-3H3,(H,27,30)/t23-/m0/s1