ethyl 4-[3-[(1R)-1-cyano-2-oxidanylidene-2-(prop-2-enylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-[(1R)-1-cyano-2-oxidanylidene-2-(prop-2-enylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(1R)-2-(allylamino)-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[(1R)-1-cyano-2-oxo-2-(prop-2-enylamino)ethyl]-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(1R)-1-cyano-2-oxo-2-(prop-2-enylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(1R)-2-(allylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C21H24N6O3 MolecularWeight: 408.45366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCC=C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCC=C

InChI

InChI=1S/C21H24N6O3/c1-3-9-23-20(28)15(14-22)18-19(25-17-8-6-5-7-16(17)24-18)26-10-12-27(13-11-26)21(29)30-4-2/h3,5-8,15H,1,4,9-13H2,2H3,(H,23,28)/t15-/m0/s1