(phenylmethyl) 2-[5-chloranyl-3-(2-methoxyethylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(2-methoxyethylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(2-methoxyethylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(2-methoxyethylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(2-methoxyethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-3-(2-methoxyethylamino)-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

COCCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-29-13-12-24-21-22(28)26(14-18(27)30-15-16-8-4-2-5-9-16)19(20(23)25-21)17-10-6-3-7-11-17/h2-11H,12-15H2,1H3,(H,24,25)