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

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] quinoxaline-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-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=NC3=CC=CC=C3N=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C17H19N3O3/c21-16(20-9-5-1-2-6-10-20)12-23-17(22)15-11-18-13-7-3-4-8-14(13)19-15/h3-4,7-8,11H,1-2,5-6,9-10,12H2