6-methyl-1-(2-nitrophenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-pyridazin-4-one

Systemtic Name: 6-methyl-1-(2-nitrophenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]carbonyl-pyridazin-4-one Openeye Name: 6-methyl-1-(2-nitrophenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyridazin-4-one CAS Name: 6-methyl-1-(2-nitrophenyl)-3-[oxo-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methyl]-4-pyridazinone IUPAC Name: 6-methyl-1-(2-nitrophenyl)-3-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazine-1-carbonyl]pyridazin-4-one Traditional Name: 6-methyl-1-(2-nitrophenyl)-3-[4-[5-(trifluoromethyl)-2-pyridyl]piperazine-1-carbonyl]pyridazin-4-one Formula: C22H19F3N6O4 MolecularWeight: 488.41927

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC(=O)C(=NN1C2=CC=CC=C2[N+](=O)[O-])C(=O)N3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C22H19F3N6O4/c1-14-12-18(32)20(27-30(14)16-4-2-3-5-17(16)31(34)35)21(33)29-10-8-28(9-11-29)19-7-6-15(13-26-19)22(23,24)25/h2-7,12-13H,8-11H2,1H3