ethyl (2S)-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[3-(1-piperidyl)quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-(1-piperidinyl)-2-quinoxalinyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-(3-piperidin-1-ylquinoxalin-2-yl)acetate Traditional Name: (2S)-2-cyano-2-(3-piperidinoquinoxalin-2-yl)acetic acid ethyl ester Formula: C18H20N4O2 MolecularWeight: 324.377

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCCCC3

InChI

InChI=1S/C18H20N4O2/c1-2-24-18(23)13(12-19)16-17(22-10-6-3-7-11-22)21-15-9-5-4-8-14(15)20-16/h4-5,8-9,13H,2-3,6-7,10-11H2,1H3/t13-/m1/s1