N-[3-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-3-oxidanylidene-propyl]ethanamide

Systemtic Name: N-[3-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-3-oxidanylidene-propyl]ethanamide Openeye Name: N-[3-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]-3-oxo-propyl]acetamide CAS Name: N-[3-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-3-oxopropyl]acetamide IUPAC Name: N-[3-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]-3-oxopropyl]acetamide Traditional Name: N-[3-keto-3-[4-(8-nitro-5-isoquinolyl)piperazino]propyl]acetamide Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N5O4/c1-13(24)20-7-5-18(25)22-10-8-21(9-11-22)16-2-3-17(23(26)27)15-12-19-6-4-14(15)16/h2-4,6,12H,5,7-11H2,1H3,(H,20,24)