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

Systemtic Name: ethyl (2S)-2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]ethanoate Openeye Name: ethyl (2S)-2-cyano-2-[3-[ethyl-[2-(4-pyridyl)ethyl]amino]quinoxalin-2-yl]acetate CAS Name: (2S)-2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]-2-quinoxalinyl]acetic acid ethyl ester IUPAC Name: ethyl (2S)-2-cyano-2-[3-[ethyl(2-pyridin-4-ylethyl)amino]quinoxalin-2-yl]acetate Traditional Name: (2S)-2-cyano-2-[3-[ethyl-[2-(4-pyridyl)ethyl]amino]quinoxalin-2-yl]acetic acid ethyl ester Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=CC=NC=C1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC

Isomeric SMILES

CCN(CCC1=CC=NC=C1)C2=NC3=CC=CC=C3N=C2[C@@H](C#N)C(=O)OCC

InChI

InChI=1S/C22H23N5O2/c1-3-27(14-11-16-9-12-24-13-10-16)21-20(17(15-23)22(28)29-4-2)25-18-7-5-6-8-19(18)26-21/h5-10,12-13,17H,3-4,11,14H2,1-2H3/t17-/m1/s1