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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(2-hydroxyethylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(2-hydroxyethylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(2-hydroxyethylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(2-hydroxyethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(2-hydroxyethylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCO)Cl)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CN2C(=C(N=C(C2=O)NCCO)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O4/c22-19-18(16-9-5-2-6-10-16)25(21(28)20(24-19)23-11-12-26)13-17(27)29-14-15-7-3-1-4-8-15/h1-10,26H,11-14H2,(H,23,24)