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

Systemtic Name: (phenylmethyl) 2-[2-(3-acetamidophenyl)-3-chloranyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[2-(3-acetamidophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[2-(3-acetamidophenyl)-3-chloro-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-(3-acetamidophenyl)-3-chloro-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[2-(3-acetamidophenyl)-3-chloro-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C29H27ClN4O4 MolecularWeight: 531.00208

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C29H27ClN4O4/c1-20(35)32-24-14-8-13-23(17-24)26-27(30)33-28(31-16-15-21-9-4-2-5-10-21)29(37)34(26)18-25(36)38-19-22-11-6-3-7-12-22/h2-14,17H,15-16,18-19H2,1H3,(H,31,33)(H,32,35)