6-methyl-3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one

Systemtic Name: 6-methyl-3-[4-(6-nitropyridin-3-yl)piperazin-1-yl]carbonyl-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Openeye Name: 6-methyl-3-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one CAS Name: 6-methyl-3-[[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-oxomethyl]-1-[3-(trifluoromethyl)phenyl]-4-pyridazinone IUPAC Name: 6-methyl-3-[4-(6-nitropyridin-3-yl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Traditional Name: 6-methyl-3-[4-(6-nitro-3-pyridyl)piperazine-1-carbonyl]-1-[3-(trifluoromethyl)phenyl]pyridazin-4-one Formula: C22H19F3N6O4 MolecularWeight: 488.41927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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