(2S)-2-(3-chloranylquinoxalin-2-yl)-N-[(4-chlorophenyl)methyl]-2-cyano-ethanamide

Systemtic Name: (2S)-2-(3-chloranylquinoxalin-2-yl)-N-[(4-chlorophenyl)methyl]-2-cyano-ethanamide Openeye Name: (2S)-N-[(4-chlorophenyl)methyl]-2-(3-chloroquinoxalin-2-yl)-2-cyano-acetamide CAS Name: (2S)-N-[(4-chlorophenyl)methyl]-2-(3-chloro-2-quinoxalinyl)-2-cyanoacetamide IUPAC Name: (2S)-N-[(4-chlorophenyl)methyl]-2-(3-chloroquinoxalin-2-yl)-2-cyanoacetamide Traditional Name: (2S)-N-(4-chlorobenzyl)-2-(3-chloroquinoxalin-2-yl)-2-cyano-acetamide Formula: C18H12Cl2N4O MolecularWeight: 371.22008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(C#N)C(=O)NCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(C(=N2)Cl)[C@@H](C#N)C(=O)NCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H12Cl2N4O/c19-12-7-5-11(6-8-12)10-22-18(25)13(9-21)16-17(20)24-15-4-2-1-3-14(15)23-16/h1-8,13H,10H2,(H,22,25)/t13-/m1/s1