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

Systemtic Name: ethyl 4-[3-[(1S)-1-cyano-2-oxidanylidene-2-(pentylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(1S)-1-cyano-2-oxo-2-(pentylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate CAS Name: 4-[3-[(1S)-1-cyano-2-oxo-2-(pentylamino)ethyl]-2-quinoxalinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(1S)-1-cyano-2-oxo-2-(pentylamino)ethyl]quinoxalin-2-yl]piperazine-1-carboxylate Traditional Name: 4-[3-[(1S)-2-(amylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]piperazine-1-carboxylic acid ethyl ester Formula: C23H30N6O3 MolecularWeight: 438.5227

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)OCC

Isomeric SMILES

CCCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C(=O)OCC

InChI

InChI=1S/C23H30N6O3/c1-3-5-8-11-25-22(30)17(16-24)20-21(27-19-10-7-6-9-18(19)26-20)28-12-14-29(15-13-28)23(31)32-4-2/h6-7,9-10,17H,3-5,8,11-15H2,1-2H3,(H,25,30)/t17-/m1/s1