3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one

Systemtic Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbonyl-4,5-dihydro-1H-pyridazin-6-one Openeye Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one CAS Name: 3-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-oxomethyl]-4,5-dihydro-1H-pyridazin-6-one IUPAC Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Traditional Name: 3-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl]-4,5-dihydro-1H-pyridazin-6-one Formula: C16H16F3N5O4 MolecularWeight: 399.32455

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NN=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NN=C1C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H16F3N5O4/c17-16(18,19)10-1-3-12(13(9-10)24(27)28)22-5-7-23(8-6-22)15(26)11-2-4-14(25)21-20-11/h1,3,9H,2,4-8H2,(H,21,25)