[2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenyl-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(3,4-dimethylphenyl)-2-keto-1-phenyl-ethyl] ester Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O3/c1-14-8-9-17(12-15(14)2)19(24)20(16-6-4-3-5-7-16)26-21(25)18-13-22-10-11-23-18/h3-13,20H,1-2H3