N-(methylcarbamoyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide

Systemtic Name: N-(methylcarbamoyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]ethanamide Openeye Name: N-(methylcarbamoyl)-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]acetamide CAS Name: N-(methylcarbamoyl)-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]acetamide IUPAC Name: N-(methylcarbamoyl)-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]acetamide Traditional Name: N-(methylcarbamoyl)-2-[4-(8-nitro-5-isoquinolyl)piperazino]acetamide Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)CN1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)NC(=O)CN1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-18-17(25)20-16(24)11-21-6-8-22(9-7-21)14-2-3-15(23(26)27)13-10-19-5-4-12(13)14/h2-5,10H,6-9,11H2,1H3,(H2,18,20,24,25)