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

Systemtic Name: (phenylmethyl) 2-[5-chloranyl-3-(ethylamino)-2-oxidanylidene-6-phenyl-pyrazin-1-yl]ethanoate Openeye Name: benzyl 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenyl-pyrazin-1-yl]acetate CAS Name: 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenyl-1-pyrazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[5-chloro-3-(ethylamino)-2-oxo-6-phenylpyrazin-1-yl]acetate Traditional Name: 2-[5-chloro-3-(ethylamino)-2-keto-6-phenyl-pyrazin-1-yl]acetic acid benzyl ester Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

Isomeric SMILES

CCNC1=NC(=C(N(C1=O)CC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H20ClN3O3/c1-2-23-20-21(27)25(13-17(26)28-14-15-9-5-3-6-10-15)18(19(22)24-20)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3,(H,23,24)