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

Systemtic Name: prop-2-enyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: allyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyanoacetic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-acetic acid allyl ester Formula: C20H22N4O2 MolecularWeight: 350.41428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2/c1-2-13-26-20(25)15(14-21)18-19(24-11-7-3-4-8-12-24)23-17-10-6-5-9-16(17)22-18/h2,5-6,9-10,15H,1,3-4,7-8,11-13H2