[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3/c1-14-10-15(2)12-17(11-14)24-20(25)19(16-6-4-3-5-7-16)27-21(26)18-13-22-8-9-23-18/h3-13,19H,1-2H3,(H,24,25)