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

Systemtic Name: ethyl 1-[3-[(1S)-1-cyano-2-oxidanylidene-2-(pentylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-[(1S)-1-cyano-2-oxo-2-(pentylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate CAS Name: 1-[3-[(1S)-1-cyano-2-oxo-2-(pentylamino)ethyl]-2-quinoxalinyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(1S)-1-cyano-2-oxo-2-(pentylamino)ethyl]quinoxalin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[3-[(1S)-2-(amylamino)-1-cyano-2-keto-ethyl]quinoxalin-2-yl]isonipecotic acid ethyl ester Formula: C24H31N5O3 MolecularWeight: 437.53464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OCC

Isomeric SMILES

CCCCCNC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N3CCC(CC3)C(=O)OCC

InChI

InChI=1S/C24H31N5O3/c1-3-5-8-13-26-23(30)18(16-25)21-22(28-20-10-7-6-9-19(20)27-21)29-14-11-17(12-15-29)24(31)32-4-2/h6-7,9-10,17-18H,3-5,8,11-15H2,1-2H3,(H,26,30)/t18-/m1/s1