[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3/c1-13-11-21-16(12-20-13)18(24)25-14(2)17(23)22(10-6-9-19)15-7-4-3-5-8-15/h3-5,7-8,11-12,14H,6,10H2,1-2H3