3-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-1H-pyridazin-6-one

Systemtic Name: 3-[4-(4-morpholin-4-ylcarbonyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-1H-pyridazin-6-one Openeye Name: 3-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazine-1-carbonyl]-1H-pyridazin-6-one CAS Name: 3-[[4-[4-[4-morpholinyl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]-oxomethyl]-1H-pyridazin-6-one IUPAC Name: 3-[4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Traditional Name: 3-[4-[4-(morpholine-4-carbonyl)-2-nitro-phenyl]piperazine-1-carbonyl]-1H-pyridazin-6-one Formula: C20H22N6O6 MolecularWeight: 442.42528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-])C(=O)C4=NNC(=O)C=C4

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)N3CCOCC3)[N+](=O)[O-])C(=O)C4=NNC(=O)C=C4

InChI

InChI=1S/C20H22N6O6/c27-18-4-2-15(21-22-18)20(29)24-7-5-23(6-8-24)16-3-1-14(13-17(16)26(30)31)19(28)25-9-11-32-12-10-25/h1-4,13H,5-12H2,(H,22,27)