ethyl (2S)-2-cyano-2-[3-[methyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]ethanoate

Systemtic Name: ethyl (2S)-2-cyano-2-[3-[methyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[3-[methyl-[2-(4-pyridyl)ethyl]amino]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[methyl(2-pyridin-4-ylethyl)amino]-2-quinoxalinyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[3-[methyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[methyl-[2-(4-pyridyl)ethyl]amino]quinoxalin-2-yl]acetic acid ethyl ester Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N(C)CCC3=CC=NC=C3

Isomeric SMILES

CCOC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1N(C)CCC3=CC=NC=C3

InChI

InChI=1S/C21H21N5O2/c1-3-28-21(27)16(14-22)19-20(25-18-7-5-4-6-17(18)24-19)26(2)13-10-15-8-11-23-12-9-15/h4-9,11-12,16H,3,10,13H2,1-2H3/t16-/m1/s1