ethyl (3R)-1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate

Systemtic Name: ethyl (3R)-1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxidanylidene-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate Openeye Name: ethyl (3R)-1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxo-ethyl]quinoxalin-2-yl]piperidine-3-carboxylate CAS Name: (3R)-1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxoethyl]-2-quinoxalinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[3-[(1S)-2-(butylamino)-1-cyano-2-oxoethyl]quinoxalin-2-yl]piperidine-3-carboxylate Traditional Name: (3R)-1-[3-[(1S)-2-(butylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]nipecotic acid ethyl ester Formula: C23H29N5O3 MolecularWeight: 423.50806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCC(C3)C(=O)OCC

Isomeric SMILES

CCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC[C@H](C3)C(=O)OCC

InChI

InChI=1S/C23H29N5O3/c1-3-5-12-25-22(29)17(14-24)20-21(27-19-11-7-6-10-18(19)26-20)28-13-8-9-16(15-28)23(30)31-4-2/h6-7,10-11,16-17H,3-5,8-9,12-13,15H2,1-2H3,(H,25,29)/t16-,17-/m1/s1