[(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate

Systemtic Name: [(1S)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-oxidanylidene-2,4-dihydro-1H-pyridazine-6-carboxylate Openeye Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate CAS Name: 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-oxo-2,4-dihydro-1H-pyridazine-6-carboxylate Traditional Name: 3-keto-2,4-dihydro-1H-pyridazine-6-carboxylic acid [(1S)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CCC(=O)NN3

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CCC(=O)NN3

InChI

InChI=1S/C21H21N3O4/c1-13-8-9-14(2)17(12-13)22-20(26)19(15-6-4-3-5-7-15)28-21(27)16-10-11-18(25)24-23-16/h3-10,12,19,23H,11H2,1-2H3,(H,22,26)(H,24,25)/t19-/m0/s1