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

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-2-methyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-2-methyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-2-methyl-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-2-methyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-methyl-3-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C22H22ClN3O3/c1-16-20(23)25-21(24-13-12-17-8-4-2-5-9-17)22(28)26(16)14-19(27)29-15-18-10-6-3-7-11-18/h2-11H,12-15H2,1H3,(H,24,25)