(phenylmethyl) 2-[3-chloranyl-5-[(4-methoxyphenyl)methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-5-[(4-methoxyphenyl)methylamino]-2-methyl-6-oxidanylidene-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-5-[(4-methoxyphenyl)methylamino]-2-methyl-6-oxo-pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-5-[(4-methoxyphenyl)methylamino]-2-methyl-6-oxo-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-5-[(4-methoxyphenyl)methylamino]-2-methyl-6-oxopyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-2-keto-6-methyl-3-(p-anisylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NCC3=CC=C(C=C3)OC)Cl

Isomeric SMILES

CC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NCC3=CC=C(C=C3)OC)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-15-20(23)25-21(24-12-16-8-10-18(29-2)11-9-16)22(28)26(15)13-19(27)30-14-17-6-4-3-5-7-17/h3-11H,12-14H2,1-2H3,(H,24,25)