[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1-ethyl-3-methyl-2-oxidanylidene-quinoxaline-6-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1-ethyl-3-methyl-2-oxo-quinoxaline-6-carboxylate CAS Name: 1-ethyl-3-methyl-2-oxo-6-quinoxalinecarboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1-ethyl-3-methyl-2-oxoquinoxaline-6-carboxylate Traditional Name: 1-ethyl-2-keto-3-methyl-quinoxaline-6-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)N=C(C1=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC(=O)N3CCCCCC3)N=C(C1=O)C

InChI

InChI=1S/C20H25N3O4/c1-3-23-17-9-8-15(12-16(17)21-14(2)19(23)25)20(26)27-13-18(24)22-10-6-4-5-7-11-22/h8-9,12H,3-7,10-11,13H2,1-2H3