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

Systemtic Name: (phenylmethyl) 2-[3-chloranyl-2-ethyl-6-oxidanylidene-5-(phenethylamino)pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[3-chloro-2-ethyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate CAS Name: 2-[3-chloro-2-ethyl-6-oxo-5-(phenethylamino)-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-chloro-2-ethyl-6-oxo-5-(phenethylamino)pyrazin-1-yl]acetate Traditional Name: 2-[3-chloro-2-ethyl-6-keto-5-(phenethylamino)pyrazin-1-yl]acetic acid benzyl ester Formula: C23H24ClN3O3 MolecularWeight: 425.90796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NCCC3=CC=CC=C3)Cl

Isomeric SMILES

CCC1=C(N=C(C(=O)N1CC(=O)OCC2=CC=CC=C2)NCCC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H24ClN3O3/c1-2-19-21(24)26-22(25-14-13-17-9-5-3-6-10-17)23(29)27(19)15-20(28)30-16-18-11-7-4-8-12-18/h3-12H,2,13-16H2,1H3,(H,25,26)