[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C23H28N4O4 MolecularWeight: 424.49282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3(CCCC3)C#N

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OCC(=O)NC3(CCCC3)C#N

InChI

InChI=1S/C23H28N4O4/c1-2-3-14-27-19-9-5-4-8-17(19)25-18(22(27)30)10-11-21(29)31-15-20(28)26-23(16-24)12-6-7-13-23/h4-5,8-9H,2-3,6-7,10-15H2,1H3,(H,26,28)