2-methoxyethyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-ethanoate

Systemtic Name: 2-methoxyethyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: 2-methoxyethyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyanoacetic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-acetic acid 2-methoxyethyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3

Isomeric SMILES

COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3

InChI

InChI=1S/C20H24N4O3/c1-26-12-13-27-20(25)15(14-21)18-19(24-10-6-2-3-7-11-24)23-17-9-5-4-8-16(17)22-18/h4-5,8-9,15H,2-3,6-7,10-13H2,1H3