[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C14H19N3O3 MolecularWeight: 277.31896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N2CCCCCC2

InChI

InChI=1S/C14H19N3O3/c1-11-8-16-12(9-15-11)14(19)20-10-13(18)17-6-4-2-3-5-7-17/h8-9H,2-7,10H2,1H3