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

Systemtic Name: ethyl (2S)-2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-ethanoate Openeye Name: ethyl (2S)-2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2S)-2-[3-(1-azepanyl)-2-quinoxalinyl]-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2S)-2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2S)-2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyano-acetic acid ethyl ester Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3

InChI

InChI=1S/C19H22N4O2/c1-2-25-19(24)14(13-20)17-18(23-11-7-3-4-8-12-23)22-16-10-6-5-9-15(16)21-17/h5-6,9-10,14H,2-4,7-8,11-12H2,1H3/t14-/m1/s1