[(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [(1R)-2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [(1R)-2-(3-acetylanilino)-2-oxo-1-phenyl-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [(1R)-2-(3-acetylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C21H18N4O4 MolecularWeight: 390.39202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C21H18N4O4/c1-13(26)15-8-5-9-16(12-15)25-20(27)18(14-6-3-2-4-7-14)29-21(28)17-19(22)24-11-10-23-17/h2-12,18H,1H3,(H2,22,24)(H,25,27)/t18-/m1/s1