[2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C20H18N4O3 MolecularWeight: 362.38192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=NC=CN=C3N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=NC=CN=C3N

InChI

InChI=1S/C20H18N4O3/c21-19-18(22-10-11-23-19)20(26)27-13-17(25)24-16-9-5-4-8-15(16)12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H2,21,23)(H,24,25)