2-[(8-nitroisoquinolin-5-yl)amino]-N-propyl-ethanamide

Systemtic Name: 2-[(8-nitroisoquinolin-5-yl)amino]-N-propyl-ethanamide Openeye Name: 2-[(8-nitro-5-isoquinolyl)amino]-N-propyl-acetamide CAS Name: 2-[(8-nitro-5-isoquinolinyl)amino]-N-propylacetamide IUPAC Name: 2-[(8-nitroisoquinolin-5-yl)amino]-N-propylacetamide Traditional Name: 2-[(8-nitro-5-isoquinolyl)amino]-N-propyl-acetamide Formula: C14H16N4O3 MolecularWeight: 288.30184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)CNC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O3/c1-2-6-16-14(19)9-17-12-3-4-13(18(20)21)11-8-15-7-5-10(11)12/h3-5,7-8,17H,2,6,9H2,1H3,(H,16,19)