methyl 2-cyano-2-[3-(3-oxidanylidenepiperazin-1-yl)quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-(3-oxidanylidenepiperazin-1-yl)quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-cyano-2-[3-(3-oxopiperazin-1-yl)quinoxalin-2-yl]acetate CAS Name: 2-cyano-2-[3-(3-oxo-1-piperazinyl)-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-(3-oxopiperazin-1-yl)quinoxalin-2-yl]acetate Traditional Name: 2-cyano-2-[3-(3-ketopiperazino)quinoxalin-2-yl]acetic acid methyl ester Formula: C16H15N5O3 MolecularWeight: 325.322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCNC(=O)C3

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCNC(=O)C3

InChI

InChI=1S/C16H15N5O3/c1-24-16(23)10(8-17)14-15(21-7-6-18-13(22)9-21)20-12-5-3-2-4-11(12)19-14/h2-5,10H,6-7,9H2,1H3,(H,18,22)