methyl 2-cyano-2-[3-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: methyl 2-cyano-2-[3-[4-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]piperazin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: methyl 2-[3-[4-[2-(allylamino)-2-oxo-ethyl]piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate CAS Name: 2-cyano-2-[3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]-1-piperazinyl]-2-quinoxalinyl]acetic acid methyl ester IUPAC Name: methyl 2-cyano-2-[3-[4-[2-oxo-2-(prop-2-enylamino)ethyl]piperazin-1-yl]quinoxalin-2-yl]acetate Traditional Name: 2-[3-[4-[2-(allylamino)-2-keto-ethyl]piperazino]quinoxalin-2-yl]-2-cyano-acetic acid methyl ester Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC(=O)NCC=C

Isomeric SMILES

COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC(=O)NCC=C

InChI

InChI=1S/C21H24N6O3/c1-3-8-23-18(28)14-26-9-11-27(12-10-26)20-19(15(13-22)21(29)30-2)24-16-6-4-5-7-17(16)25-20/h3-7,15H,1,8-12,14H2,2H3,(H,23,28)