N-(cyanomethyl)-N'-isoquinolin-5-yl-ethanediamide

Systemtic Name: N-(cyanomethyl)-N'-isoquinolin-5-yl-ethanediamide Openeye Name: N-(cyanomethyl)-N'-(5-isoquinolyl)oxamide CAS Name: N-(cyanomethyl)-N'-(5-isoquinolinyl)oxamide IUPAC Name: N-(cyanomethyl)-N'-isoquinolin-5-yloxamide Traditional Name: N-(cyanomethyl)-N'-(5-isoquinolyl)oxamide Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C(=O)NCC#N

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC(=O)C(=O)NCC#N

InChI

InChI=1S/C13H10N4O2/c14-5-7-16-12(18)13(19)17-11-3-1-2-9-8-15-6-4-10(9)11/h1-4,6,8H,7H2,(H,16,18)(H,17,19)