6-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]carbonylpyridazin-3-olate

Systemtic Name: 6-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]carbonylpyridazin-3-olate Openeye Name: 6-[4-(8-nitro-5-isoquinolyl)piperazine-1-carbonyl]pyridazin-3-olate CAS Name: 6-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-oxomethyl]-3-pyridazinolate IUPAC Name: 6-[4-(8-nitroisoquinolin-5-yl)piperazine-1-carbonyl]pyridazin-3-olate Traditional Name: 6-[4-(8-nitro-5-isoquinolyl)piperazine-1-carbonyl]pyridazin-3-olate Formula: C18H15N6O4- MolecularWeight: 379.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)C4=NN=C(C=C4)[O-]

Isomeric SMILES

C1CN(CCN1C2=C3C=CN=CC3=C(C=C2)[N+](=O)[O-])C(=O)C4=NN=C(C=C4)[O-]

InChI

InChI=1S/C18H16N6O4/c25-17-4-1-14(20-21-17)18(26)23-9-7-22(8-10-23)15-2-3-16(24(27)28)13-11-19-6-5-12(13)15/h1-6,11H,7-10H2,(H,21,25)/p-1