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

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H20N4O3 MolecularWeight: 376.4085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC=CN=C3N

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C21H20N4O3/c1-13-8-9-14(2)16(12-13)25-20(26)18(15-6-4-3-5-7-15)28-21(27)17-19(22)24-11-10-23-17/h3-12,18H,1-2H3,(H2,22,24)(H,25,26)