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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] quinoxaline-5-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] quinoxaline-5-carboxylate CAS Name: 5-quinoxalinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] quinoxaline-5-carboxylate Traditional Name: quinoxaline-5-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C17H19N3O3 MolecularWeight: 313.35106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C3C(=CC=C2)N=CC=N3

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C3C(=CC=C2)N=CC=N3

InChI

InChI=1S/C17H19N3O3/c21-15(20-10-3-1-2-4-11-20)12-23-17(22)13-6-5-7-14-16(13)19-9-8-18-14/h5-9H,1-4,10-12H2