2-(2-methoxyethyl)-6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyridazin-3-one

Systemtic Name: 2-(2-methoxyethyl)-6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-pyridazin-3-one Openeye Name: 2-(2-methoxyethyl)-6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one CAS Name: 2-(2-methoxyethyl)-6-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-3-pyridazinone IUPAC Name: 2-(2-methoxyethyl)-6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one Traditional Name: 2-(2-methoxyethyl)-6-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]pyridazin-3-one Formula: C19H20F3N5O5 MolecularWeight: 455.38781

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COCCN1C(=O)C=CC(=N1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H20F3N5O5/c1-32-11-10-26-17(28)5-3-14(23-26)18(29)25-8-6-24(7-9-25)15-4-2-13(19(20,21)22)12-16(15)27(30)31/h2-5,12H,6-11H2,1H3