[2-(azepan-1-yl)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] quinoxaline-6-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] quinoxaline-6-carboxylate CAS Name: 6-quinoxalinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] quinoxaline-6-carboxylate Traditional Name: quinoxaline-6-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=CC3=NC=CN=C3C=C2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC3=NC=CN=C3C=C2

InChI

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