[2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[1-(2-cyanoethyl)-3-indolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(2-cyanoethyl)indol-3-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[1-(2-cyanoethyl)indol-3-yl]-2-keto-ethyl] ester Formula: C19H16N4O3 MolecularWeight: 348.35534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CN(C3=CC=CC=C32)CCC#N

InChI

InChI=1S/C19H16N4O3/c1-13-9-22-16(10-21-13)19(25)26-12-18(24)15-11-23(8-4-7-20)17-6-3-2-5-14(15)17/h2-3,5-6,9-11H,4,8,12H2,1H3