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

Systemtic Name: ethyl 4-[3-[(1R)-1-cyano-2-oxidanylidene-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(1R)-1-cyano-2-oxo-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[(1R)-1-cyano-2-oxo-2-(phenethylamino)ethyl]-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(1R)-1-cyano-2-oxo-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(1R)-1-cyano-2-keto-2-(phenethylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C26H28N6O3 MolecularWeight: 472.53892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N=C2[C@H](C#N)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C26H28N6O3/c1-2-35-26(34)32-16-14-31(15-17-32)24-23(29-21-10-6-7-11-22(21)30-24)20(18-27)25(33)28-13-12-19-8-4-3-5-9-19/h3-11,20H,2,12-17H2,1H3,(H,28,33)/t20-/m0/s1