[2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)-(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[3-chloro-N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O3/c1-12-9-21-15(10-20-12)17(24)25-11-16(23)22(7-3-6-19)14-5-2-4-13(18)8-14/h2,4-5,8-10H,3,7,11H2,1H3