(2S)-N-[(2S)-butan-2-yl]-2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanamide

Systemtic Name: (2S)-N-[(2S)-butan-2-yl]-2-(3-chloranylquinoxalin-2-yl)-2-cyano-ethanamide Openeye Name: (2S)-2-(3-chloroquinoxalin-2-yl)-2-cyano-N-[(1S)-1-methylpropyl]acetamide CAS Name: (2S)-N-[(2S)-butan-2-yl]-2-(3-chloro-2-quinoxalinyl)-2-cyanoacetamide IUPAC Name: (2S)-N-[(2S)-butan-2-yl]-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetamide Traditional Name: (2S)-2-(3-chloroquinoxalin-2-yl)-2-cyano-N-[(1S)-1-methylpropyl]acetamide Formula: C15H15ClN4O MolecularWeight: 302.7588

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1Cl

Isomeric SMILES

CC[C@H](C)NC(=O)[C@H](C#N)C1=NC2=CC=CC=C2N=C1Cl

InChI

InChI=1S/C15H15ClN4O/c1-3-9(2)18-15(21)10(8-17)13-14(16)20-12-7-5-4-6-11(12)19-13/h4-7,9-10H,3H2,1-2H3,(H,18,21)/t9-,10+/m0/s1