1-[4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-(8-nitro-5-isoquinolyl)piperazin-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-(8-nitro-5-isoquinolyl)piperazino]phenyl]ethanone Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O3/c1-15(26)16-2-4-17(5-3-16)23-10-12-24(13-11-23)20-6-7-21(25(27)28)19-14-22-9-8-18(19)20/h2-9,14H,10-13H2,1H3