(2R)-N-aminocarbonyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide

Systemtic Name: (2R)-N-aminocarbonyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Openeye Name: (2R)-N-carbamoyl-2-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]propanamide CAS Name: (2R)-N-carbamoyl-2-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]propanamide IUPAC Name: (2R)-N-carbamoyl-2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]propanamide Traditional Name: (2R)-N-carbamoyl-2-[4-(8-nitro-5-isoquinolyl)piperazino]propionamide Formula: C17H20N6O4 MolecularWeight: 372.3785

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)N1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)N1CCN(CC1)C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N6O4/c1-11(16(24)20-17(18)25)21-6-8-22(9-7-21)14-2-3-15(23(26)27)13-10-19-5-4-12(13)14/h2-5,10-11H,6-9H2,1H3,(H3,18,20,24,25)/t11-/m1/s1