[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2,3-dimethylquinoxaline-6-carboxylate CAS Name: 2,3-dimethyl-6-quinoxalinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate Traditional Name: 2,3-dimethylquinoxaline-6-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O3 MolecularWeight: 355.4308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C(=O)OC(C)C(=O)N3CCCCCC3)N=C1C

InChI

InChI=1S/C20H25N3O3/c1-13-14(2)22-18-12-16(8-9-17(18)21-13)20(25)26-15(3)19(24)23-10-6-4-5-7-11-23/h8-9,12,15H,4-7,10-11H2,1-3H3