3-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(8-nitroisoquinolin-5-yl)piperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-(8-nitro-5-isoquinolyl)piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-(8-nitro-5-isoquinolinyl)-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-(8-nitroisoquinolin-5-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-(8-nitro-5-isoquinolyl)piperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C18H16N6O4 MolecularWeight: 380.35744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)