[1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-1-methyl-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[1-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-1-methyl-ethyl] ester Formula: C17H18FN3O3 MolecularWeight: 331.341523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OC(C)C(=O)NC(C)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OC(C)C(=O)NC(C)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H18FN3O3/c1-10-8-20-15(9-19-10)17(23)24-12(3)16(22)21-11(2)13-4-6-14(18)7-5-13/h4-9,11-12H,1-3H3,(H,21,22)