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

Systemtic Name: 1-methoxypropan-2-yl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: (2-methoxy-1-methyl-ethyl) 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyanoacetic acid 1-methoxypropan-2-yl ester IUPAC Name: 1-methoxypropan-2-yl 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-methoxy-1-methyl-ethyl) ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O3/c1-15(14-27-2)28-21(26)16(13-22)19-20(25-11-7-3-4-8-12-25)24-18-10-6-5-9-17(18)23-19/h5-6,9-10,15-16H,3-4,7-8,11-12,14H2,1-2H3