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

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-2-(2-methylphenyl)-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-2-(o-tolyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-2-(2-methylphenyl)-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-2-(2-methylphenyl)-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-(o-tolyl)-3-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C28H26ClN3O3 MolecularWeight: 487.97734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)NCCC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=CC=CC=C1C2=C(N=C(C(=O)N2CC(=O)OCC3=CC=CC=C3)NCCC4=CC=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O3/c1-20-10-8-9-15-23(20)25-26(29)31-27(30-17-16-21-11-4-2-5-12-21)28(34)32(25)18-24(33)35-19-22-13-6-3-7-14-22/h2-15H,16-19H2,1H3,(H,30,31)